6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde

C65H78ClN21O7 — CID 159774484

IUPAC6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde
SMILESC.C.C.C.Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2.Cc1nnc2n1CCN(c1ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n1)C2.Cc1nnc2n1CCNC2.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N7O.C14H12O2.C11H13N7O2.C6H10N4.C5H4ClN3O2.4CH4/c1-17-29-30-23-15-31(13-14-32(17)23)22-12-11-21-25(27-22)28-24(26-21)19-7-9-20(10-8-19)33-16-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-7-14-15-10-6-16(4-5-17(7)10)9-3-2-8(18(19)20)11(12)13-9;1-5-8-9-6-4-7-2-3-10(5)6;6-4-2-1-3(9(10)11)5(7)8-4;;;;/h2-12H,13-16H2,1H3,(H,26,27,28);1-10H,11H2;2-3H,4-6H2,1H3,(H2,12,13);7H,2-4H2,1H3;1-2H,(H2,7,8);4*1H4
InChIKeyNGOARYWRWCHUCG-UHFFFAOYSA-N
MW1300.93 g/mol
LogP11.15
Rot. Bonds12

About 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde

6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde (PubChem CID 159774484) has the molecular formula C65H78ClN21O7 and a molecular weight of 1300.93 g/mol. Its IUPAC name is 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde
PubChem CID159774484
Molecular FormulaC65H78ClN21O7
Molecular Weight1300.93 g/mol
Exact Mass1299.61
IUPAC Name6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde
SMILESC.C.C.C.Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2.Cc1nnc2n1CCN(c1ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n1)C2.Cc1nnc2n1CCNC2.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N7O.C14H12O2.C11H13N7O2.C6H10N4.C5H4ClN3O2.4CH4/c1-17-29-30-23-15-31(13-14-32(17)23)22-12-11-21-25(27-22)28-24(26-21)19-7-9-20(10-8-19)33-16-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-7-14-15-10-6-16(4-5-17(7)10)9-3-2-8(18(19)20)11(12)13-9;1-5-8-9-6-4-7-2-3-10(5)6;6-4-2-1-3(9(10)11)5(7)8-4;;;;/h2-12H,13-16H2,1H3,(H,26,27,28);1-10H,11H2;2-3H,4-6H2,1H3,(H2,12,13);7H,2-4H2,1H3;1-2H,(H2,7,8);4*1H4
InChIKeyNGOARYWRWCHUCG-UHFFFAOYSA-N
XLogP11.15
TPSA351.84 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001300.93
LogP ≤ 511.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde?
The IUPAC name of 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde (CID 159774484) is 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde?
The canonical SMILES for 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde is C.C.C.C.Cc1nnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2.Cc1nnc2n1CCN(c1ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n1)C2.Cc1nnc2n1CCNC2.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde?
The InChIKey is NGOARYWRWCHUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O.C14H12O2.C11H13N7O2.C6H10N4.C5H4ClN3O2.4CH4/c1-17-29-30-23-15-31(13-14-32(17)23)22-12-11-21-25(27-22)28-24(26-21)19-7-9-20(10-8-19)33-16-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-7-14-15-10-6-16(4-5-17(7)10)9-3-2-8(18(19)20)11(12)13-9;1-5-8-9-6-4-7-2-3-10(5)6;6-4-2-1-3(9(10)11)5(7)8-4;;;;/h2-12H,13-16H2,1H3,(H,26,27,28);1-10H,11H2;2-3H,4-6H2,1H3,(H2,12,13);7H,2-4H2,1H3;1-2H,(H2,7,8);4*1H4.
What are the key properties of 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde?
6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde has a molecular weight of 1300.93 g/mol, XLogP of 11.15, 12 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitropyridin-2-amine;methane;6-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-nitropyridin-2-amine;3-methyl-7-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 159774484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).