(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone

C9H13N3O2 — CID 131204366

IUPAC(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOC1(C(=O)c2nncn2C)CCC1
InChIInChI=1S/C9H13N3O2/c1-12-6-10-11-8(12)7(13)9(14-2)4-3-5-9/h6H,3-5H2,1-2H3
InChIKeyJHWKCKKLANBORH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds3

About (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone

(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131204366) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131204366
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOC1(C(=O)c2nncn2C)CCC1
InChIInChI=1S/C9H13N3O2/c1-12-6-10-11-8(12)7(13)9(14-2)4-3-5-9/h6H,3-5H2,1-2H3
InChIKeyJHWKCKKLANBORH-UHFFFAOYSA-N
XLogP0.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanone
CID 114686224
(1-methoxycyclobutyl)-(1-propylimidazol-2-yl)methanone
CID 116706985
1-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
(1-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone (CID 131204366) is (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone is COC1(C(=O)c2nncn2C)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is JHWKCKKLANBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-6-10-11-8(12)7(13)9(14-2)4-3-5-9/h6H,3-5H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone?
(1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131204366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).