4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

C6H9N3O — CID 22973881

IUPAC4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1ncn(C2CC2)c1=O
InChIInChI=1S/C6H9N3O/c1-8-6(10)9(4-7-8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyDXLDZWZBQZIEQD-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.08
Rot. Bonds1

About 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 22973881) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
PubChem CID22973881
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1ncn(C2CC2)c1=O
InChIInChI=1S/C6H9N3O/c1-8-6(10)9(4-7-8)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyDXLDZWZBQZIEQD-UHFFFAOYSA-N
XLogP-0.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (CID 22973881) is 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is Cn1ncn(C2CC2)c1=O.
What is the InChIKey of 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is DXLDZWZBQZIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-8-6(10)9(4-7-8)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
4-cyclopropyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 139.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22973881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).