N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H17N5O — CID 644513

IUPACN-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc2ncccn2n1
InChIInChI=1S/C13H17N5O/c19-12(15-10-6-3-1-2-4-7-10)11-16-13-14-8-5-9-18(13)17-11/h5,8-10H,1-4,6-7H2,(H,15,19)
InChIKeyLLEAWHJMHQAQJY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.58
Rot. Bonds2

About N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 644513) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID644513
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc2ncccn2n1
InChIInChI=1S/C13H17N5O/c19-12(15-10-6-3-1-2-4-7-10)11-16-13-14-8-5-9-18(13)17-11/h5,8-10H,1-4,6-7H2,(H,15,19)
InChIKeyLLEAWHJMHQAQJY-UHFFFAOYSA-N
XLogP1.58
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 644513) is N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCCCC1)c1nc2ncccn2n1.
What is the InChIKey of N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LLEAWHJMHQAQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-12(15-10-6-3-1-2-4-7-10)11-16-13-14-8-5-9-18(13)17-11/h5,8-10H,1-4,6-7H2,(H,15,19).
What are the key properties of N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).