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

C9H15N3O — CID 83152833

IUPAC[5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C)C1CC1
InChIInChI=1S/C9H15N3O/c1-6(7-3-4-7)9-11-10-8(5-13)12(9)2/h6-7,13H,3-5H2,1-2H3
InChIKeyJNDGPYFXHDVISJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.82
Rot. Bonds3

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

[5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 83152833) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID83152833
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C)C1CC1
InChIInChI=1S/C9H15N3O/c1-6(7-3-4-7)9-11-10-8(5-13)12(9)2/h6-7,13H,3-5H2,1-2H3
InChIKeyJNDGPYFXHDVISJ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(1-cyclopropylethyl)-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
[5-(4,4-Difluorocyclohexyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 81934984
[5-(3,3-Difluorocyclopentyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 114226805
[4-Cyclopropyl-5-(2-fluoropropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 130561798
[5-(2-Fluoropropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130561800
[4-Ethyl-5-(2-fluoro-1-methylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 130952079
[5-(3,3-Difluorocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 130979287
[4-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 90815098
2-[3-(1-Cyclopropylethyl)-1,2,4-triazol-1-yl]ethanol
CID 91237897
(5-Tert-butyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanol
CID 115396350
(6-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanol
CID 118564099

Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 83152833) is [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol is CC(c1nnc(CO)n1C)C1CC1.
What is the InChIKey of [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JNDGPYFXHDVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(7-3-4-7)9-11-10-8(5-13)12(9)2/h6-7,13H,3-5H2,1-2H3.
What are the key properties of [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropylethyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 83152833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).