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

C10H17N3O — CID 103167574

IUPAC[5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C10H17N3O/c1-2-13-9(6-8-4-3-5-8)11-12-10(13)7-14/h8,14H,2-7H2,1H3
InChIKeyWTPUJIJUMBCASP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.13
Rot. Bonds4

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

[5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 103167574) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID103167574
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC1CCC1
InChIInChI=1S/C10H17N3O/c1-2-13-9(6-8-4-3-5-8)11-12-10(13)7-14/h8,14H,2-7H2,1H3
InChIKeyWTPUJIJUMBCASP-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
(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
2-[3-tert-butyl-5-[(2S)-spiro[2.3]hexan-2-yl]-1,2,4-triazol-1-yl]ethanol
CID 97436286
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[4-Propan-2-yl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934490
[5-(4,4-Difluorocyclohexyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 81934511
[4-Ethyl-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934653
[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-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934783

Frequently Asked Questions

What is the IUPAC name of [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 103167574) is [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1CC1CCC1.
What is the InChIKey of [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is WTPUJIJUMBCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-9(6-8-4-3-5-8)11-12-10(13)7-14/h8,14H,2-7H2,1H3.
What are the key properties of [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 195.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclobutylmethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103167574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).