(1-ethyl-5-methyltriazol-4-yl)methanol

C6H11N3O — CID 82207210

IUPAC(1-ethyl-5-methyltriazol-4-yl)methanol
SMILESCCn1nnc(CO)c1C
InChIInChI=1S/C6H11N3O/c1-3-9-5(2)6(4-10)7-8-9/h10H,3-4H2,1-2H3
InChIKeyWCTOWRMHLOBYQS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.10
Rot. Bonds2

About (1-ethyl-5-methyltriazol-4-yl)methanol

(1-ethyl-5-methyltriazol-4-yl)methanol (PubChem CID 82207210) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1-ethyl-5-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethyl-5-methyltriazol-4-yl)methanol
PubChem CID82207210
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1-ethyl-5-methyltriazol-4-yl)methanol
SMILESCCn1nnc(CO)c1C
InChIInChI=1S/C6H11N3O/c1-3-9-5(2)6(4-10)7-8-9/h10H,3-4H2,1-2H3
InChIKeyWCTOWRMHLOBYQS-UHFFFAOYSA-N
XLogP0.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methyltriazol-4-yl)methanol?
The IUPAC name of (1-ethyl-5-methyltriazol-4-yl)methanol (CID 82207210) is (1-ethyl-5-methyltriazol-4-yl)methanol.
What is the SMILES notation for (1-ethyl-5-methyltriazol-4-yl)methanol?
The canonical SMILES for (1-ethyl-5-methyltriazol-4-yl)methanol is CCn1nnc(CO)c1C.
What is the InChIKey of (1-ethyl-5-methyltriazol-4-yl)methanol?
The InChIKey is WCTOWRMHLOBYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-9-5(2)6(4-10)7-8-9/h10H,3-4H2,1-2H3.
What are the key properties of (1-ethyl-5-methyltriazol-4-yl)methanol?
(1-ethyl-5-methyltriazol-4-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methyltriazol-4-yl)methanol is sourced from PubChem (CID 82207210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).