4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one

C5H8N4O — CID 14653410

IUPAC4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNn1c(C2CC2)n[nH]c1=O
InChIInChI=1S/C5H8N4O/c6-9-4(3-1-2-3)7-8-5(9)10/h3H,1-2,6H2,(H,8,10)
InChIKeyRAUTVGWCILUZBL-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.84
Rot. Bonds1

About 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one

4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 14653410) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID14653410
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNn1c(C2CC2)n[nH]c1=O
InChIInChI=1S/C5H8N4O/c6-9-4(3-1-2-3)7-8-5(9)10/h3H,1-2,6H2,(H,8,10)
InChIKeyRAUTVGWCILUZBL-UHFFFAOYSA-N
XLogP-0.84
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one (CID 14653410) is 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one is Nn1c(C2CC2)n[nH]c1=O.
What is the InChIKey of 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is RAUTVGWCILUZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-9-4(3-1-2-3)7-8-5(9)10/h3H,1-2,6H2,(H,8,10).
What are the key properties of 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one?
4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 140.15 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 14653410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).