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

C5H9N3O — CID 84647940

IUPAC(2,5-dimethyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nc(CO)n(C)n1
InChIInChI=1S/C5H9N3O/c1-4-6-5(3-9)8(2)7-4/h9H,3H2,1-2H3
InChIKeyPQWHSSGHSIOAMI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.38
Rot. Bonds1

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

(2,5-dimethyl-1,2,4-triazol-3-yl)methanol (PubChem CID 84647940) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (2,5-dimethyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethyl-1,2,4-triazol-3-yl)methanol
PubChem CID84647940
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(2,5-dimethyl-1,2,4-triazol-3-yl)methanol
SMILESCc1nc(CO)n(C)n1
InChIInChI=1S/C5H9N3O/c1-4-6-5(3-9)8(2)7-4/h9H,3H2,1-2H3
InChIKeyPQWHSSGHSIOAMI-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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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(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
(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71695279
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
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
5-bromo-3-(methoxymethyl)-1-methyl-1H-1,2,4-triazole
CID 155819937

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2,5-dimethyl-1,2,4-triazol-3-yl)methanol (CID 84647940) is (2,5-dimethyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2,5-dimethyl-1,2,4-triazol-3-yl)methanol is Cc1nc(CO)n(C)n1.
What is the InChIKey of (2,5-dimethyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is PQWHSSGHSIOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-6-5(3-9)8(2)7-4/h9H,3H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,2,4-triazol-3-yl)methanol?
(2,5-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 (2,5-dimethyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 84647940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).