N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H17N5OS — CID 94822093

IUPACN,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc([C@H](C)N(C)C(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C15H17N5OS/c1-9-7-8-16-15-17-13(18-20(9)15)14(21)19(4)11(3)12-6-5-10(2)22-12/h5-8,11H,1-4H3/t11-/m0/s1
InChIKeyAKDNCDXSELZKFD-NSHDSACASA-N
MW315.40 g/mol
LogP2.64
Rot. Bonds3

About N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 94822093) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID94822093
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc([C@H](C)N(C)C(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C15H17N5OS/c1-9-7-8-16-15-17-13(18-20(9)15)14(21)19(4)11(3)12-6-5-10(2)22-12/h5-8,11H,1-4H3/t11-/m0/s1
InChIKeyAKDNCDXSELZKFD-NSHDSACASA-N
XLogP2.64
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 94822093) is N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc([C@H](C)N(C)C(=O)c2nc3nccc(C)n3n2)s1.
What is the InChIKey of N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AKDNCDXSELZKFD-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N5OS/c1-9-7-8-16-15-17-13(18-20(9)15)14(21)19(4)11(3)12-6-5-10(2)22-12/h5-8,11H,1-4H3/t11-/m0/s1.
What are the key properties of N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 94822093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).