4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one

C7H12N4O — CID 58460131

IUPAC4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one
SMILESCN(C)c1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C7H12N4O/c1-10(2)6-8-9-7(12)11(6)5-3-4-5/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyZVGXMXMOVJMWCU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.03
Rot. Bonds2

About 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one (PubChem CID 58460131) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one
PubChem CID58460131
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one
SMILESCN(C)c1n[nH]c(=O)n1C1CC1
InChIInChI=1S/C7H12N4O/c1-10(2)6-8-9-7(12)11(6)5-3-4-5/h5H,3-4H2,1-2H3,(H,9,12)
InChIKeyZVGXMXMOVJMWCU-UHFFFAOYSA-N
XLogP-0.03
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one (CID 58460131) is 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one is CN(C)c1n[nH]c(=O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one?
The InChIKey is ZVGXMXMOVJMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10(2)6-8-9-7(12)11(6)5-3-4-5/h5H,3-4H2,1-2H3,(H,9,12).
What are the key properties of 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one has a molecular weight of 168.20 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(dimethylamino)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 58460131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).