5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate

C72H99Cl4N25O12 — CID 167535623

IUPAC5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C(N)=O)CC1.COC(=O)c1nnc(Cl)cc1Cl.COC(=O)c1nnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(N)=O)nn2)cn1
InChIInChI=1S/C17H25ClN4O4.C17H20N8O.C16H24ClN5O3.C11H22N2O2.C6H4Cl2N2O2.C5H4N4/c1-17(2,3)26-16(24)22-7-5-11(6-8-22)10-19-12-9-13(18)20-21-14(12)15(23)25-4;18-7-12-9-22-15(10-20-12)23-14-6-13(16(17(19)26)25-24-14)21-8-11-4-2-1-3-5-11;1-16(2,3)25-15(24)22-6-4-10(5-7-22)9-19-11-8-12(17)20-21-13(11)14(18)23;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-12-6(11)5-3(7)2-4(8)9-10-5;6-1-4-2-9-5(7)3-8-4/h9,11H,5-8,10H2,1-4H3,(H,19,20);6,9-11H,1-5,8H2,(H2,19,26)(H2,21,22,23,24);8,10H,4-7,9H2,1-3H3,(H2,18,23)(H,19,20);9H,4-8,12H2,1-3H3;2H,1H3;2-3H,(H2,7,9)
InChIKeyANGCJHRCBOZZIV-UHFFFAOYSA-N
MW1648.56 g/mol
LogP10.33
Rot. Bonds16

About 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate

5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate (PubChem CID 167535623) has the molecular formula C72H99Cl4N25O12 and a molecular weight of 1648.56 g/mol. Its IUPAC name is 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate.

Molecular Properties

Compound Name5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate
PubChem CID167535623
Molecular FormulaC72H99Cl4N25O12
Molecular Weight1648.56 g/mol
Exact Mass1645.67
IUPAC Name5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C(N)=O)CC1.COC(=O)c1nnc(Cl)cc1Cl.COC(=O)c1nnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(N)=O)nn2)cn1
InChIInChI=1S/C17H25ClN4O4.C17H20N8O.C16H24ClN5O3.C11H22N2O2.C6H4Cl2N2O2.C5H4N4/c1-17(2,3)26-16(24)22-7-5-11(6-8-22)10-19-12-9-13(18)20-21-14(12)15(23)25-4;18-7-12-9-22-15(10-20-12)23-14-6-13(16(17(19)26)25-24-14)21-8-11-4-2-1-3-5-11;1-16(2,3)25-15(24)22-6-4-10(5-7-22)9-19-11-8-12(17)20-21-13(11)14(18)23;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-12-6(11)5-3(7)2-4(8)9-10-5;6-1-4-2-9-5(7)3-8-4/h9,11H,5-8,10H2,1-4H3,(H,19,20);6,9-11H,1-5,8H2,(H2,19,26)(H2,21,22,23,24);8,10H,4-7,9H2,1-3H3,(H2,18,23)(H,19,20);9H,4-8,12H2,1-3H3;2H,1H3;2-3H,(H2,7,9)
InChIKeyANGCJHRCBOZZIV-UHFFFAOYSA-N
XLogP10.33
TPSA529.82 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.56
LogP ≤ 510.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate with MolForge

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Related Compounds

6-chloro-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;5-chloropyrazin-2-amine;6-[(5-cyanopyrazin-2-yl)amino]-N-methyl-4-(oxan-4-ylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-(oxan-4-ylmethylamino)pyridazine-3-carboxylate
CID 167685994
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
tert-butyl 4-[[[5-amino-2-[(5-cyanopyrazin-2-yl)amino]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 59613544
5-aminopyrazine-2-carbonitrile;tert-butyl 4-[[[6-chloro-3-(3-piperidin-1-ylphenyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(3-piperidin-1-ylphenyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[(3,6-dichloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;5-[[5-(cyclohexylmethylamino)-6-(3-piperidin-1-ylphenyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;methane;(3-piperidin-1-ylphenyl)boronic acid
CID 167594931
tert-butyl 4-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(4-methylphenyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 143784518
tert-butyl 4-[[[6-chloro-3-(propan-2-ylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 174159641
tert-butyl 4-[[[6-chloro-3-(methylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 164598987
tert-butyl 4-[[[6-chloro-3-(ethylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 164599385
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
tert-butyl 4-[[2-[(5-cyanopyrazin-2-yl)amino]-5-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59613336
tert-butyl 4-[[(6-chloro-3-cyclopropylpyridazin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 155594602

Frequently Asked Questions

What is the IUPAC name of 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate?
The IUPAC name of 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate (CID 167535623) is 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate.
What is the SMILES notation for 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate?
The canonical SMILES for 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)CC1.CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nnc2C(N)=O)CC1.COC(=O)c1nnc(Cl)cc1Cl.COC(=O)c1nnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1.N#Cc1cnc(N)cn1.N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(C(N)=O)nn2)cn1.
What is the InChIKey of 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate?
The InChIKey is ANGCJHRCBOZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O4.C17H20N8O.C16H24ClN5O3.C11H22N2O2.C6H4Cl2N2O2.C5H4N4/c1-17(2,3)26-16(24)22-7-5-11(6-8-22)10-19-12-9-13(18)20-21-14(12)15(23)25-4;18-7-12-9-22-15(10-20-12)23-14-6-13(16(17(19)26)25-24-14)21-8-11-4-2-1-3-5-11;1-16(2,3)25-15(24)22-6-4-10(5-7-22)9-19-11-8-12(17)20-21-13(11)14(18)23;1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13;1-12-6(11)5-3(7)2-4(8)9-10-5;6-1-4-2-9-5(7)3-8-4/h9,11H,5-8,10H2,1-4H3,(H,19,20);6,9-11H,1-5,8H2,(H2,19,26)(H2,21,22,23,24);8,10H,4-7,9H2,1-3H3,(H2,18,23)(H,19,20);9H,4-8,12H2,1-3H3;2H,1H3;2-3H,(H2,7,9).
What are the key properties of 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate?
5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate has a molecular weight of 1648.56 g/mol, XLogP of 10.33, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyrazine-2-carbonitrile;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[[(3-carbamoyl-6-chloropyridazin-4-yl)amino]methyl]piperidine-1-carboxylate;6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)pyridazine-3-carboxamide;methyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate is sourced from PubChem (CID 167535623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).