1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide

C17H15N9O — CID 122290639

IUPAC1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)nn1
InChIInChI=1S/C17H15N9O/c1-25-10-14(23-24-25)17(27)22-13-5-3-12(4-6-13)21-15-9-16(19-11-18-15)26-8-2-7-20-26/h2-11H,1H3,(H,22,27)(H,18,19,21)
InChIKeyLOCAKRLGFOZXRM-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.79
Rot. Bonds5

About 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide

1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide (PubChem CID 122290639) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
PubChem CID122290639
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)nn1
InChIInChI=1S/C17H15N9O/c1-25-10-14(23-24-25)17(27)22-13-5-3-12(4-6-13)21-15-9-16(19-11-18-15)26-8-2-7-20-26/h2-11H,1H3,(H,22,27)(H,18,19,21)
InChIKeyLOCAKRLGFOZXRM-UHFFFAOYSA-N
XLogP1.79
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122290710
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122290696
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122290654
1-(1,3-benzodioxol-5-yl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121073012
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122290660
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290727
(E)-3-(2-chlorophenyl)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 122290582
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide (CID 122290639) is 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)nn1.
What is the InChIKey of 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide?
The InChIKey is LOCAKRLGFOZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c1-25-10-14(23-24-25)17(27)22-13-5-3-12(4-6-13)21-15-9-16(19-11-18-15)26-8-2-7-20-26/h2-11H,1H3,(H,22,27)(H,18,19,21).
What are the key properties of 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide?
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 122290639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).