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

C11H17N3O — CID 126953779

IUPAC5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1c(C2CCC2)nn(CC2CC2)c1=O
InChIInChI=1S/C11H17N3O/c1-13-10(9-3-2-4-9)12-14(11(13)15)7-8-5-6-8/h8-9H,2-7H2,1H3
InChIKeyBVUCCKRNQXCKQW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds3

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

5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one (PubChem CID 126953779) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one
PubChem CID126953779
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1c(C2CCC2)nn(CC2CC2)c1=O
InChIInChI=1S/C11H17N3O/c1-13-10(9-3-2-4-9)12-14(11(13)15)7-8-5-6-8/h8-9H,2-7H2,1H3
InChIKeyBVUCCKRNQXCKQW-UHFFFAOYSA-N
XLogP1.26
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953637
5-Cyclopropyl-2-ethyl-4-methyl-1,2,4-triazol-3-one
CID 20731876
4-(Cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 147441327
1-(cyclobutylmethyl)-4-cyclopropyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953675
1-(cyclobutylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953684
1-(but-2-yn-1-yl)-3-cyclopropyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953732
1-(cyclobutylmethyl)-3-cyclopropyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953733
1-(cyclopropylmethyl)-4-methyl-3-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953751
4-tert-butyl-3-cyclobutyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953767
3-cyclobutyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953768
3-cyclobutyl-4-(cyclopropylmethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953772
3-cyclobutyl-4-cyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953774

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one (CID 126953779) is 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one is Cn1c(C2CCC2)nn(CC2CC2)c1=O.
What is the InChIKey of 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one?
The InChIKey is BVUCCKRNQXCKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-10(9-3-2-4-9)12-14(11(13)15)7-8-5-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one?
5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-(cyclopropylmethyl)-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).