(1-ethyltriazol-4-yl)methanol

C5H9N3O — CID 12654351

IUPAC(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(CO)nn1
InChIInChI=1S/C5H9N3O/c1-2-8-3-5(4-9)6-7-8/h3,9H,2,4H2,1H3
InChIKeyRRWWLNDIWCIGBL-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.21
Rot. Bonds2

About (1-ethyltriazol-4-yl)methanol

(1-ethyltriazol-4-yl)methanol (PubChem CID 12654351) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (1-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethyltriazol-4-yl)methanol
PubChem CID12654351
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(1-ethyltriazol-4-yl)methanol
SMILESCCn1cc(CO)nn1
InChIInChI=1S/C5H9N3O/c1-2-8-3-5(4-9)6-7-8/h3,9H,2,4H2,1H3
InChIKeyRRWWLNDIWCIGBL-UHFFFAOYSA-N
XLogP-0.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 137650365
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CID 12654349
CID 12654349
CID 62401462
CID 62401462
CID 50988017
CID 50988017
CID 62400531
CID 62400531
CID 12654348
CID 12654348
CID 12654350
CID 12654350
CID 62402024
CID 62402024
CID 67023023
CID 67023023

Frequently Asked Questions

What is the IUPAC name of (1-ethyltriazol-4-yl)methanol?
The IUPAC name of (1-ethyltriazol-4-yl)methanol (CID 12654351) is (1-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (1-ethyltriazol-4-yl)methanol?
The canonical SMILES for (1-ethyltriazol-4-yl)methanol is CCn1cc(CO)nn1.
What is the InChIKey of (1-ethyltriazol-4-yl)methanol?
The InChIKey is RRWWLNDIWCIGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-8-3-5(4-9)6-7-8/h3,9H,2,4H2,1H3.
What are the key properties of (1-ethyltriazol-4-yl)methanol?
(1-ethyltriazol-4-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 12654351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).