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

C9H15N3O — CID 103167577

IUPAC[5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C9H15N3O/c1-12-8(5-7-3-2-4-7)10-11-9(12)6-13/h7,13H,2-6H2,1H3
InChIKeyMXXUNCALKWYTQM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.65
Rot. Bonds3

About [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167577) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID103167577
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C9H15N3O/c1-12-8(5-7-3-2-4-7)10-11-9(12)6-13/h7,13H,2-6H2,1H3
InChIKeyMXXUNCALKWYTQM-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757969
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934695
[5-(4,4-Difluorocyclohexyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 81934737
[4-Propyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934849
[5-(4,4-Difluorocyclohexyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 81934891
[4-Methyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934938
[4-Methyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934983
[5-(4,4-Difluorocyclohexyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 81934984
[5-(4,4-Difluorocyclohexyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 81935033

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 103167577) is [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1CC1CCC1.
What is the InChIKey of [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is MXXUNCALKWYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(5-7-3-2-4-7)10-11-9(12)6-13/h7,13H,2-6H2,1H3.
What are the key properties of [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).