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

C5H9N3O — CID 18726738

IUPAC(4,5-dimethyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C
InChIInChI=1S/C5H9N3O/c1-4-6-7-5(3-9)8(4)2/h9H,3H2,1-2H3
InChIKeySUYSEWOAGPULMR-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.38
Rot. Bonds1

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

(4,5-dimethyl-1,2,4-triazol-3-yl)methanol (PubChem CID 18726738) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (4,5-dimethyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-1,2,4-triazol-3-yl)methanol
PubChem CID18726738
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(4,5-dimethyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nnc(CO)n1C
InChIInChI=1S/C5H9N3O/c1-4-6-7-5(3-9)8(4)2/h9H,3H2,1-2H3
InChIKeySUYSEWOAGPULMR-UHFFFAOYSA-N
XLogP-0.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4,5-dimethyl-1,2,4-triazol-3-yl)methanol (CID 18726738) is (4,5-dimethyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4,5-dimethyl-1,2,4-triazol-3-yl)methanol is Cc1nnc(CO)n1C.
What is the InChIKey of (4,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is SUYSEWOAGPULMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-6-7-5(3-9)8(4)2/h9H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,2,4-triazol-3-yl)methanol?
(4,5-dimethyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 18726738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).