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

C4H7N3O — CID 11073377

IUPAC(2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1ncnc1CO
InChIInChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChIKeyQUAQZVSGXQVIEP-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.69
Rot. Bonds1

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

(2-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 11073377) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (2-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID11073377
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(2-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1ncnc1CO
InChIInChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3
InChIKeyQUAQZVSGXQVIEP-UHFFFAOYSA-N
XLogP-0.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1H-1,2,4-triazol-3-yl)methanol
CID 424449
(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
(4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707893
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 65600773

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-methyl-1,2,4-triazol-3-yl)methanol (CID 11073377) is (2-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-methyl-1,2,4-triazol-3-yl)methanol is Cn1ncnc1CO.
What is the InChIKey of (2-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is QUAQZVSGXQVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-4(2-8)5-3-6-7/h3,8H,2H2,1H3.
What are the key properties of (2-methyl-1,2,4-triazol-3-yl)methanol?
(2-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 113.12 g/mol, XLogP of -0.69, 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 is sourced from PubChem (CID 11073377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).