N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C17H17ClN6O2 — CID 17393839

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C17H17ClN6O2/c1-10-8-11(2)24-17(19-10)21-15(22-24)16(26)23(3)9-14(25)20-13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,20,25)
InChIKeyBSFQYUHTJCVARK-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17393839) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17393839
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C17H17ClN6O2/c1-10-8-11(2)24-17(19-10)21-15(22-24)16(26)23(3)9-14(25)20-13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,20,25)
InChIKeyBSFQYUHTJCVARK-UHFFFAOYSA-N
XLogP2.11
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,5,7-trimethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17431167
[2-(3,4-dichloroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4006355
N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
CID 18191318
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 24982865
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 110885459
[2-(2,4-dichloroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4690962
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]butanoate
CID 39491200
N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26786460
(2S)-N-(4-chlorophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 2587110
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 4040230
N-[6-(4-chlorophenoxy)-3-pyridinyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60582189
[2-(4-butylanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7862942

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 17393839) is N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BSFQYUHTJCVARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-10-8-11(2)24-17(19-10)21-15(22-24)16(26)23(3)9-14(25)20-13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17393839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).