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

C10H15N3O — CID 126953771

IUPAC3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCC2)n1CC1CC1
InChIInChI=1S/C10H15N3O/c14-10-12-11-9(8-2-1-3-8)13(10)6-7-4-5-7/h7-8H,1-6H2,(H,12,14)
InChIKeyYWQDIYZDIFZMAE-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds3

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

3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one (PubChem CID 126953771) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one
PubChem CID126953771
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCC2)n1CC1CC1
InChIInChI=1S/C10H15N3O/c14-10-12-11-9(8-2-1-3-8)13(10)6-7-4-5-7/h7-8H,1-6H2,(H,12,14)
InChIKeyYWQDIYZDIFZMAE-UHFFFAOYSA-N
XLogP1.25
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-3-isopropyl-1H-1,2,4-triazol-5(4H)-one
CID 45096350
3-cyclopropyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 57927625
3-butan-2-yl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 58460115
3,4-dicyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 58460116
3-cyclopentyl-4-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 117764436
4-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953667
3-cyclobutyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953775
5-(Cyclopropylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 162730213
5-cyclobutyl-4-pentyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50967042
4-cyclopentyl-3-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953719
3-cyclopropyl-4-(cyclopropylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953724
3-cyclobutyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953769

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one (CID 126953771) is 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCC2)n1CC1CC1.
What is the InChIKey of 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one?
The InChIKey is YWQDIYZDIFZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-12-11-9(8-2-1-3-8)13(10)6-7-4-5-7/h7-8H,1-6H2,(H,12,14).
What are the key properties of 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one?
3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one has a molecular weight of 193.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(cyclopropylmethyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).