[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

C9H15N3O — CID 66025203

IUPAC[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C9H15N3O/c1-12-8(10-7-11-12)5-9(6-13)3-2-4-9/h7,13H,2-6H2,1H3
InChIKeyGTJDUDGCAZAURL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds3

About [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (PubChem CID 66025203) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
PubChem CID66025203
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
SMILESCn1ncnc1CC1(CO)CCC1
InChIInChI=1S/C9H15N3O/c1-12-8(10-7-11-12)5-9(6-13)3-2-4-9/h7,13H,2-6H2,1H3
InChIKeyGTJDUDGCAZAURL-UHFFFAOYSA-N
XLogP0.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025427
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66060230
1-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]-1,2,4-triazole
CID 79452651
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026284
N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106813197
1-[1-(aminomethyl)cyclohexyl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116614448
3-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothiolane-3-carboxylic acid
CID 115337954
3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 80705359

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol (CID 66025203) is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is Cn1ncnc1CC1(CO)CCC1.
What is the InChIKey of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
The InChIKey is GTJDUDGCAZAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(10-7-11-12)5-9(6-13)3-2-4-9/h7,13H,2-6H2,1H3.
What are the key properties of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol?
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 66025203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).