1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

C30H39N14O3P — CID 158353511

IUPAC1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1.Cn1cc(C(=O)O)cn1.[3H]P([3H])[3H]
InChIInChI=1S/C15H17N7O.C10H13N5.C5H6N2O2.H3P/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-7-3-4(2-6-7)5(8)9;/h4-10H,1-3H3,(H,18,19,23);3-7H,1-2H3,(H2,11,13);2-3H,1H3,(H,8,9);1H3/i;;;1T3
InChIKeyGSPIWJOLFOERFQ-XNZQYOTMSA-N
MW680.74 g/mol
LogP3.59
Rot. Bonds7

About 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (PubChem CID 158353511) has the molecular formula C30H39N14O3P and a molecular weight of 680.74 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.

Molecular Properties

Compound Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
PubChem CID158353511
Molecular FormulaC30H39N14O3P
Molecular Weight680.74 g/mol
Exact Mass680.33
IUPAC Name1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
SMILESCC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1.Cn1cc(C(=O)O)cn1.[3H]P([3H])[3H]
InChIInChI=1S/C15H17N7O.C10H13N5.C5H6N2O2.H3P/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-7-3-4(2-6-7)5(8)9;/h4-10H,1-3H3,(H,18,19,23);3-7H,1-2H3,(H2,11,13);2-3H,1H3,(H,8,9);1H3/i;;;1T3
InChIKeyGSPIWJOLFOERFQ-XNZQYOTMSA-N
XLogP3.59
TPSA215.26 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.74
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381322
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146381565
7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137457646
7-[Benzyl(methyl)amino]-5-[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139373624
5-[2-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]-5-oxopyrazolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142589503
5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142589559
3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381547
3-(difluoromethyl)-1-[5-(dimethylamino)pyridin-3-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]pyrazole-4-carboxamide
CID 146381569
7-[benzyl(methyl)amino]-5-[1-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146559383
3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 160546762
3-methoxy-1-methylpyrazole-4-carboxylic acid;3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 160862269
3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid;3-(difluoromethyl)-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;1-(trifluoromethyl)cyclopropan-1-amine;6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-amine
CID 172983046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The IUPAC name of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (CID 158353511) is 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.
What is the SMILES notation for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The canonical SMILES for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is CC(C)n1cnnc1-c1cccc(N)n1.CC(C)n1cnnc1-c1cccc(NC(=O)c2cnn(C)c2)n1.Cn1cc(C(=O)O)cn1.[3H]P([3H])[3H].
What is the InChIKey of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The InChIKey is GSPIWJOLFOERFQ-XNZQYOTMSA-N. The full InChI is InChI=1S/C15H17N7O.C10H13N5.C5H6N2O2.H3P/c1-10(2)22-9-16-20-14(22)12-5-4-6-13(18-12)19-15(23)11-7-17-21(3)8-11;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-7-3-4(2-6-7)5(8)9;/h4-10H,1-3H3,(H,18,19,23);3-7H,1-2H3,(H2,11,13);2-3H,1H3,(H,8,9);1H3/i;;;1T3.
What are the key properties of 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane has a molecular weight of 680.74 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is sourced from PubChem (CID 158353511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).