2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide

C11H13ClN6O — CID 114219490

IUPAC2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nncn2C)nc(Cl)n1
InChIInChI=1S/C11H13ClN6O/c1-6-4-8(16-11(12)14-6)10(19)15-7(2)9-17-13-5-18(9)3/h4-5,7H,1-3H3,(H,15,19)
InChIKeyFVAPQNYOFMAMIU-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.06
Rot. Bonds3

About 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide

2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 114219490) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID114219490
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2nncn2C)nc(Cl)n1
InChIInChI=1S/C11H13ClN6O/c1-6-4-8(16-11(12)14-6)10(19)15-7(2)9-17-13-5-18(9)3/h4-5,7H,1-3H3,(H,15,19)
InChIKeyFVAPQNYOFMAMIU-UHFFFAOYSA-N
XLogP1.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 62238242
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117116
5-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104642269
6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 114036218
2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114922476
5-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104640412
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 114219490) is 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)c2nncn2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is FVAPQNYOFMAMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-6-4-8(16-11(12)14-6)10(19)15-7(2)9-17-13-5-18(9)3/h4-5,7H,1-3H3,(H,15,19).
What are the key properties of 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 114219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).