5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one

C10H15N3O — CID 22973899

IUPAC5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(CC2CC2)c1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)13(6-7-2-3-7)9(11-12)8-4-5-8/h7-8H,2-6H2,1H3
InChIKeyUFIIOZFSHPRRSK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.87
Rot. Bonds3

About 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one

5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one (PubChem CID 22973899) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one
PubChem CID22973899
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(CC2CC2)c1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)13(6-7-2-3-7)9(11-12)8-4-5-8/h7-8H,2-6H2,1H3
InChIKeyUFIIOZFSHPRRSK-UHFFFAOYSA-N
XLogP0.87
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one (CID 22973899) is 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CC2)n(CC2CC2)c1=O.
What is the InChIKey of 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is UFIIOZFSHPRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-10(14)13(6-7-2-3-7)9(11-12)8-4-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one?
5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(cyclopropylmethyl)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 22973899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).