N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C11H13N5O — CID 34831861

IUPACN-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCC3CC3)nn12
InChIInChI=1S/C11H13N5O/c1-7-4-5-12-11-14-9(15-16(7)11)10(17)13-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,17)
InChIKeyJIQZIIKJAGKDBC-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.57
Rot. Bonds3

About N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 34831861) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID34831861
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)NCC3CC3)nn12
InChIInChI=1S/C11H13N5O/c1-7-4-5-12-11-14-9(15-16(7)11)10(17)13-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,17)
InChIKeyJIQZIIKJAGKDBC-UHFFFAOYSA-N
XLogP0.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 34831861) is N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NCC3CC3)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JIQZIIKJAGKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-5-12-11-14-9(15-16(7)11)10(17)13-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,17).
What are the key properties of N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 34831861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).