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

C6H13N3O — CID 121370117

IUPAC(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol
SMILESCC1N(C)N=C(CO)N1C
InChIInChI=1S/C6H13N3O/c1-5-8(2)6(4-10)7-9(5)3/h5,10H,4H2,1-3H3
InChIKeyGYZNQZUZLFFYNX-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.48
Rot. Bonds1

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

(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol (PubChem CID 121370117) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol
PubChem CID121370117
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol
SMILESCC1N(C)N=C(CO)N1C
InChIInChI=1S/C6H13N3O/c1-5-8(2)6(4-10)7-9(5)3/h5,10H,4H2,1-3H3
InChIKeyGYZNQZUZLFFYNX-UHFFFAOYSA-N
XLogP-0.48
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol (CID 121370117) is (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol is CC1N(C)N=C(CO)N1C.
What is the InChIKey of (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol?
The InChIKey is GYZNQZUZLFFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5-8(2)6(4-10)7-9(5)3/h5,10H,4H2,1-3H3.
What are the key properties of (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol?
(2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol has a molecular weight of 143.19 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethyl-3H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 121370117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).