7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C9H11N5O2 — CID 167748834

IUPAC7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C9H11N5O2/c1-2-3-10-7(15)6-4-11-9-12-5-13-14(9)8(6)16/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13)
InChIKeyNOWICUZQVTZUHG-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.44
Rot. Bonds3

About 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 167748834) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID167748834
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)c1cnc2nc[nH]n2c1=O
InChIInChI=1S/C9H11N5O2/c1-2-3-10-7(15)6-4-11-9-12-5-13-14(9)8(6)16/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13)
InChIKeyNOWICUZQVTZUHG-UHFFFAOYSA-N
XLogP-0.44
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 167748834) is 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCNC(=O)c1cnc2nc[nH]n2c1=O.
What is the InChIKey of 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NOWICUZQVTZUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-3-10-7(15)6-4-11-9-12-5-13-14(9)8(6)16/h4-5H,2-3H2,1H3,(H,10,15)(H,11,12,13).
What are the key properties of 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167748834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).