3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium

C81H78ClN30O2Pr- — CID 159386049

IUPAC3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium
SMILESCC1CCN(c2cnnc(Nc3cc(C4CC4)[nH]n3)c2)CC1.Cc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1cc(Nc2nncc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1ccc(-c2nncc(N=c3c[c-][nH][nH]3)n2)cc1.[Pr]
InChIInChI=1S/2C19H16N6O.C16H22N6.C14H13ClN6.C13H11N6.Pr/c1-13-10-18(24-23-13)22-19-21-17(12-20-25-19)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-13-10-17(24-23-13)21-18-12-20-25-19(22-18)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-11-4-6-22(7-5-11)13-8-15(20-17-10-13)18-16-9-14(19-21-16)12-2-3-12;1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12;1-9-2-4-10(5-3-9)13-17-12(8-15-19-13)16-11-6-7-14-18-11;/h2*2-12H,1H3,(H2,21,22,23,24,25);8-12H,2-7H2,1H3,(H2,18,19,20,21);3-7H,1-2H3,(H2,17,18,19,20,21);2-6,8H,1H3,(H2,14,16,17,18,19);/q;;;;-1;
InChIKeyVRTRKUVVYPHQTN-UHFFFAOYSA-N
MW1680.08 g/mol
LogP16.08
Rot. Bonds19

About 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium

3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium (PubChem CID 159386049) has the molecular formula C81H78ClN30O2Pr- and a molecular weight of 1680.08 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium
PubChem CID159386049
Molecular FormulaC81H78ClN30O2Pr-
Molecular Weight1680.08 g/mol
Exact Mass1678.57
IUPAC Name3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium
SMILESCC1CCN(c2cnnc(Nc3cc(C4CC4)[nH]n3)c2)CC1.Cc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1cc(Nc2nncc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1ccc(-c2nncc(N=c3c[c-][nH][nH]3)n2)cc1.[Pr]
InChIInChI=1S/2C19H16N6O.C16H22N6.C14H13ClN6.C13H11N6.Pr/c1-13-10-18(24-23-13)22-19-21-17(12-20-25-19)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-13-10-17(24-23-13)21-18-12-20-25-19(22-18)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-11-4-6-22(7-5-11)13-8-15(20-17-10-13)18-16-9-14(19-21-16)12-2-3-12;1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12;1-9-2-4-10(5-3-9)13-17-12(8-15-19-13)16-11-6-7-14-18-11;/h2*2-12H,1H3,(H2,21,22,23,24,25);8-12H,2-7H2,1H3,(H2,18,19,20,21);3-7H,1-2H3,(H2,17,18,19,20,21);2-6,8H,1H3,(H2,14,16,17,18,19);/q;;;;-1;
InChIKeyVRTRKUVVYPHQTN-UHFFFAOYSA-N
XLogP16.08
TPSA408.94 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001680.08
LogP ≤ 516.08
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium with MolForge

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Related Compounds

2-chloro-3-[6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzonitrile;bis(6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluoro-3-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine);bis(6-(4-ethyl-4-methylpiperidin-1-yl)-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2H-pyrazolo[3,4-b]pyrazine)
CID 160758577
3-[(E)-2-[2-chloro-4-(piperidin-1-ylmethyl)phenyl]ethenyl]-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[4-(piperidin-1-ylmethyl)naphthalen-1-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrazin-2-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(piperidin-1-ylmethyl)pyridazin-3-yl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[5-(piperidin-1-ylmethyl)pyrimidin-2-yl]ethenyl]-1H-indazole
CID 158492821
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
CID 158935916
3-(2-chloro-6-fluorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-methoxyphenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chloro-4-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(3-methoxy-5-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 159952739

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium (CID 159386049) is 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium is CC1CCN(c2cnnc(Nc3cc(C4CC4)[nH]n3)c2)CC1.Cc1cc(Nc2cnnc(-c3ccc(Cl)c(C)c3)n2)n[nH]1.Cc1cc(Nc2cnnc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1cc(Nc2nncc(-c3cccc(Oc4ccccc4)c3)n2)n[nH]1.Cc1ccc(-c2nncc(N=c3c[c-][nH][nH]3)n2)cc1.[Pr].
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium?
The InChIKey is VRTRKUVVYPHQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N6O.C16H22N6.C14H13ClN6.C13H11N6.Pr/c1-13-10-18(24-23-13)22-19-21-17(12-20-25-19)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-13-10-17(24-23-13)21-18-12-20-25-19(22-18)14-6-5-9-16(11-14)26-15-7-3-2-4-8-15;1-11-4-6-22(7-5-11)13-8-15(20-17-10-13)18-16-9-14(19-21-16)12-2-3-12;1-8-5-10(3-4-11(8)15)14-18-13(7-16-21-14)17-12-6-9(2)19-20-12;1-9-2-4-10(5-3-9)13-17-12(8-15-19-13)16-11-6-7-14-18-11;/h2*2-12H,1H3,(H2,21,22,23,24,25);8-12H,2-7H2,1H3,(H2,18,19,20,21);3-7H,1-2H3,(H2,17,18,19,20,21);2-6,8H,1H3,(H2,14,16,17,18,19);/q;;;;-1;.
What are the key properties of 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium?
3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium has a molecular weight of 1680.08 g/mol, XLogP of 16.08, 19 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(4-methylpiperidin-1-yl)pyridazin-3-amine;N-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-2,3-dihydro-1H-pyrazol-3-id-5-imine;N-(5-methyl-1H-pyrazol-3-yl)-3-(3-phenoxyphenyl)-1,2,4-triazin-5-amine;N-(5-methyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine;praseodymium is sourced from PubChem (CID 159386049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).