(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol

C5H11N3O — CID 91096425

IUPAC(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESCCN1CNN=C1CO
InChIInChI=1S/C5H11N3O/c1-2-8-4-6-7-5(8)3-9/h6,9H,2-4H2,1H3
InChIKeyIDVQQAUTRPMEPX-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.83
Rot. Bonds2

About (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol

(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (PubChem CID 91096425) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
PubChem CID91096425
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESCCN1CNN=C1CO
InChIInChI=1S/C5H11N3O/c1-2-8-4-6-7-5(8)3-9/h6,9H,2-4H2,1H3
InChIKeyIDVQQAUTRPMEPX-UHFFFAOYSA-N
XLogP-0.83
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methanol
CID 22938392
(4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methanol
CID 22938827
3-(Ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
CID 91384638
(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol
CID 121370117
4-Ethyl-5-(hydroxymethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 131212648
4-Ethyl-3-(methoxymethyl)-1,5-dihydro-1,2,4-triazole
CID 141238952
(4-Propan-2-yl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 152221213
2-(3-Ethyl-1,5-dihydro-1,2,4-triazol-4-yl)ethanol
CID 152474986
(4-Methyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 153939544
4-Ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol
CID 166946697
3-(Methoxymethyl)-4,5-dimethyl-1,5-dihydro-1,2,4-triazole
CID 174253990
4-Ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174506027

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (CID 91096425) is (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is CCN1CNN=C1CO.
What is the InChIKey of (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The InChIKey is IDVQQAUTRPMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-2-8-4-6-7-5(8)3-9/h6,9H,2-4H2,1H3.
What are the key properties of (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
(4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 91096425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).