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

C10H13N5O — CID 590312

IUPACN-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C10H13N5O/c1-2-3-5-11-9(16)8-13-10-12-6-4-7-15(10)14-8/h4,6-7H,2-3,5H2,1H3,(H,11,16)
InChIKeyRFEJLQKUOIQOLD-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.65
Rot. Bonds4

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

N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 590312) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID590312
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C10H13N5O/c1-2-3-5-11-9(16)8-13-10-12-6-4-7-15(10)14-8/h4,6-7H,2-3,5H2,1H3,(H,11,16)
InChIKeyRFEJLQKUOIQOLD-UHFFFAOYSA-N
XLogP0.65
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 590312) is N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCCNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RFEJLQKUOIQOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-3-5-11-9(16)8-13-10-12-6-4-7-15(10)14-8/h4,6-7H,2-3,5H2,1H3,(H,11,16).
What are the key properties of N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 590312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).