4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C6H9N5O — CID 136839187

IUPAC4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C6H9N5O/c7-4(12)5-9-6-8-2-1-3-11(6)10-5/h1-3H2,(H2,7,12)(H,8,9,10)
InChIKeyGNVXICUIQJXZKG-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.81
Rot. Bonds1

About 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136839187) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136839187
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc2n(n1)CCCN2
InChIInChI=1S/C6H9N5O/c7-4(12)5-9-6-8-2-1-3-11(6)10-5/h1-3H2,(H2,7,12)(H,8,9,10)
InChIKeyGNVXICUIQJXZKG-UHFFFAOYSA-N
XLogP-0.81
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 136839187) is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1nc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GNVXICUIQJXZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-4(12)5-9-6-8-2-1-3-11(6)10-5/h1-3H2,(H2,7,12)(H,8,9,10).
What are the key properties of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136839187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).