4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol

C5H11N3O2 — CID 166946697

IUPAC4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol
SMILESCCN1C(CO)=NNC1O
InChIInChI=1S/C5H11N3O2/c1-2-8-4(3-9)6-7-5(8)10/h5,7,9-10H,2-3H2,1H3
InChIKeyAKNVQEUWCQFCHP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.51
Rot. Bonds2

About 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol

4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol (PubChem CID 166946697) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol.

Molecular Properties

Compound Name4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol
PubChem CID166946697
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol
SMILESCCN1C(CO)=NNC1O
InChIInChI=1S/C5H11N3O2/c1-2-8-4(3-9)6-7-5(8)10/h5,7,9-10H,2-3H2,1H3
InChIKeyAKNVQEUWCQFCHP-UHFFFAOYSA-N
XLogP-1.51
TPSA68.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methanol
CID 22938392
(4-Ethyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
CID 91096425
3-(Ethoxymethyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
CID 91384638
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
2-Deuterio-4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-one
CID 175708567

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol?
The IUPAC name of 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol (CID 166946697) is 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol.
What is the SMILES notation for 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol?
The canonical SMILES for 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol is CCN1C(CO)=NNC1O.
What is the InChIKey of 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol?
The InChIKey is AKNVQEUWCQFCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2-8-4(3-9)6-7-5(8)10/h5,7,9-10H,2-3H2,1H3.
What are the key properties of 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol?
4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol has a molecular weight of 145.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(hydroxymethyl)-1,5-dihydro-1,2,4-triazol-5-ol is sourced from PubChem (CID 166946697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).