N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H21N5O2 — CID 103895260

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)(C)C(C)(C)O)nc2n1
InChIInChI=1S/C14H21N5O2/c1-8-7-9(2)19-12(15-8)16-10(18-19)11(20)17-13(3,4)14(5,6)21/h7,21H,1-6H3,(H,17,20)
InChIKeyGQRZEFAZRWUKDF-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.02
Rot. Bonds3

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 103895260) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID103895260
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NC(C)(C)C(C)(C)O)nc2n1
InChIInChI=1S/C14H21N5O2/c1-8-7-9(2)19-12(15-8)16-10(18-19)11(20)17-13(3,4)14(5,6)21/h7,21H,1-6H3,(H,17,20)
InChIKeyGQRZEFAZRWUKDF-UHFFFAOYSA-N
XLogP1.02
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 103895260) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NC(C)(C)C(C)(C)O)nc2n1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GQRZEFAZRWUKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8-7-9(2)19-12(15-8)16-10(18-19)11(20)17-13(3,4)14(5,6)21/h7,21H,1-6H3,(H,17,20).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 103895260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).