5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C11H13ClN6O — CID 78928205

IUPAC5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)ncc2Cl)n[nH]1
InChIInChI=1S/C11H13ClN6O/c1-5(2)9-13-4-7(12)8(15-9)10(19)16-11-14-6(3)17-18-11/h4-5H,1-3H3,(H2,14,16,17,18,19)
InChIKeyQUUDUJPZCSLOOO-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 78928205) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID78928205
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)ncc2Cl)n[nH]1
InChIInChI=1S/C11H13ClN6O/c1-5(2)9-13-4-7(12)8(15-9)10(19)16-11-14-6(3)17-18-11/h4-5H,1-3H3,(H2,14,16,17,18,19)
InChIKeyQUUDUJPZCSLOOO-UHFFFAOYSA-N
XLogP1.93
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 47466541
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
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5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-2-propan-2-yl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 95784692
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 78928205) is 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(NC(=O)c2nc(C(C)C)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is QUUDUJPZCSLOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-5(2)9-13-4-7(12)8(15-9)10(19)16-11-14-6(3)17-18-11/h4-5H,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 78928205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).