(2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride

C4H8ClN3O — CID 126802643

IUPAC(2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
SMILESCl.Cn1ncnc1CO
InChIInChI=1S/C4H7N3O.ClH/c1-7-4(2-8)5-3-6-7;/h3,8H,2H2,1H3;1H
InChIKeyQDRQTGQSUXYIRW-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.27
Rot. Bonds1

About (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride

(2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride (PubChem CID 126802643) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
PubChem CID126802643
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name(2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
SMILESCl.Cn1ncnc1CO
InChIInChI=1S/C4H7N3O.ClH/c1-7-4(2-8)5-3-6-7;/h3,8H,2H2,1H3;1H
InChIKeyQDRQTGQSUXYIRW-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 (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The IUPAC name of (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride (CID 126802643) is (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride.
What is the SMILES notation for (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The canonical SMILES for (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride is Cl.Cn1ncnc1CO.
What is the InChIKey of (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The InChIKey is QDRQTGQSUXYIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-7-4(2-8)5-3-6-7;/h3,8H,2H2,1H3;1H.
What are the key properties of (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
(2-methyl-1,2,4-triazol-3-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 (2-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride is sourced from PubChem (CID 126802643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).