7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H15N7O2 — CID 17417131

IUPAC7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)nn12
InChIInChI=1S/C18H15N7O2/c1-11-7-8-20-18-22-15(23-25(11)18)17(27)21-13-5-3-12(4-6-13)14(26)16-19-9-10-24(16)2/h3-10H,1-2H3,(H,21,27)
InChIKeyXKCWOIJBXKUDIY-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.65
Rot. Bonds4

About 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17417131) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17417131
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)nn12
InChIInChI=1S/C18H15N7O2/c1-11-7-8-20-18-22-15(23-25(11)18)17(27)21-13-5-3-12(4-6-13)14(26)16-19-9-10-24(16)2/h3-10H,1-2H3,(H,21,27)
InChIKeyXKCWOIJBXKUDIY-UHFFFAOYSA-N
XLogP1.65
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
7-methyl-N-(4-phenyldiazenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8886551
7-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31508079
N-[4-(4-ethoxyphenoxy)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8873482
4-(difluoromethylsulfanyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18206147
N-[3-(cyclopropylcarbamoyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17494544
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
7-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55972632

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17417131) is 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)nn12.
What is the InChIKey of 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XKCWOIJBXKUDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-11-7-8-20-18-22-15(23-25(11)18)17(27)21-13-5-3-12(4-6-13)14(26)16-19-9-10-24(16)2/h3-10H,1-2H3,(H,21,27).
What are the key properties of 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17417131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).