5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide

C15H18N8O — CID 151285009

IUPAC5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)n1
InChIInChI=1S/C15H18N8O/c1-9(2)22-8-17-20-14(22)11-5-4-6-13(18-11)19-15(24)23-12(16)7-10(3)21-23/h4-9H,16H2,1-3H3,(H,18,19,24)
InChIKeyNZEUVIRYNVSQIE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide

5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide (PubChem CID 151285009) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
PubChem CID151285009
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
SMILESCc1cc(N)n(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)n1
InChIInChI=1S/C15H18N8O/c1-9(2)22-8-17-20-14(22)11-5-4-6-13(18-11)19-15(24)23-12(16)7-10(3)21-23/h4-9H,16H2,1-3H3,(H,18,19,24)
InChIKeyNZEUVIRYNVSQIE-UHFFFAOYSA-N
XLogP2.09
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide?
The IUPAC name of 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide (CID 151285009) is 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide is Cc1cc(N)n(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)n1.
What is the InChIKey of 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide?
The InChIKey is NZEUVIRYNVSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9(2)22-8-17-20-14(22)11-5-4-6-13(18-11)19-15(24)23-12(16)7-10(3)21-23/h4-9H,16H2,1-3H3,(H,18,19,24).
What are the key properties of 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide?
5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide is sourced from PubChem (CID 151285009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).