1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide

C17H19N9O — CID 122300047

IUPAC1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)nn1
InChIInChI=1S/C17H19N9O/c1-24-12-14(22-23-24)16(27)21-13-10-19-17(20-11-13)26-8-6-25(7-9-26)15-4-2-3-5-18-15/h2-5,10-12H,6-9H2,1H3,(H,21,27)
InChIKeyQMTXAJLGVVKJPL-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.58
Rot. Bonds4

About 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide

1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide (PubChem CID 122300047) has the molecular formula C17H19N9O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
PubChem CID122300047
Molecular FormulaC17H19N9O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)nn1
InChIInChI=1S/C17H19N9O/c1-24-12-14(22-23-24)16(27)21-13-10-19-17(20-11-13)26-8-6-25(7-9-26)15-4-2-3-5-18-15/h2-5,10-12H,6-9H2,1H3,(H,21,27)
InChIKeyQMTXAJLGVVKJPL-UHFFFAOYSA-N
XLogP0.58
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
1-methyl-N-(1-pyridin-2-ylpyrazol-4-yl)triazole-4-carboxamide
CID 110471594
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyridine-2-carboxamide
CID 122299599
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide (CID 122300047) is 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide is Cn1cc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)nn1.
What is the InChIKey of 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
The InChIKey is QMTXAJLGVVKJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O/c1-24-12-14(22-23-24)16(27)21-13-10-19-17(20-11-13)26-8-6-25(7-9-26)15-4-2-3-5-18-15/h2-5,10-12H,6-9H2,1H3,(H,21,27).
What are the key properties of 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide?
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide is sourced from PubChem (CID 122300047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).