(1-methyltriazol-4-yl)methanol;hydrochloride

C4H8ClN3O — CID 67486163

IUPAC(1-methyltriazol-4-yl)methanol;hydrochloride
SMILESCl.Cn1cc(CO)nn1
InChIInChI=1S/C4H7N3O.ClH/c1-7-2-4(3-8)5-6-7;/h2,8H,3H2,1H3;1H
InChIKeySDLFDTRBLIFARV-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.27
Rot. Bonds1

About (1-methyltriazol-4-yl)methanol;hydrochloride

(1-methyltriazol-4-yl)methanol;hydrochloride (PubChem CID 67486163) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)methanol;hydrochloride
PubChem CID67486163
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name(1-methyltriazol-4-yl)methanol;hydrochloride
SMILESCl.Cn1cc(CO)nn1
InChIInChI=1S/C4H7N3O.ClH/c1-7-2-4(3-8)5-6-7;/h2,8H,3H2,1H3;1H
InChIKeySDLFDTRBLIFARV-UHFFFAOYSA-N
XLogP-0.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)methanol;hydrochloride?
The IUPAC name of (1-methyltriazol-4-yl)methanol;hydrochloride (CID 67486163) is (1-methyltriazol-4-yl)methanol;hydrochloride.
What is the SMILES notation for (1-methyltriazol-4-yl)methanol;hydrochloride?
The canonical SMILES for (1-methyltriazol-4-yl)methanol;hydrochloride is Cl.Cn1cc(CO)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)methanol;hydrochloride?
The InChIKey is SDLFDTRBLIFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-7-2-4(3-8)5-6-7;/h2,8H,3H2,1H3;1H.
What are the key properties of (1-methyltriazol-4-yl)methanol;hydrochloride?
(1-methyltriazol-4-yl)methanol;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)methanol;hydrochloride is sourced from PubChem (CID 67486163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).