N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C11H15N5O — CID 171315733

IUPACN-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C11H15N5O/c1-8(2)4-6-12-10(17)9-14-11-13-5-3-7-16(11)15-9/h3,5,7-8H,4,6H2,1-2H3,(H,12,17)
InChIKeyHDKGVGPNSKXAMQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.90
Rot. Bonds4

About N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315733) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315733
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)CCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C11H15N5O/c1-8(2)4-6-12-10(17)9-14-11-13-5-3-7-16(11)15-9/h3,5,7-8H,4,6H2,1-2H3,(H,12,17)
InChIKeyHDKGVGPNSKXAMQ-UHFFFAOYSA-N
XLogP0.90
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315733) is N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)CCNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HDKGVGPNSKXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8(2)4-6-12-10(17)9-14-11-13-5-3-7-16(11)15-9/h3,5,7-8H,4,6H2,1-2H3,(H,12,17).
What are the key properties of N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).