[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol

C10H12N4O — CID 107504760

IUPAC[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1cc(-c2n[nH]c(CO)n2)cc(C)n1
InChIInChI=1S/C10H12N4O/c1-6-3-8(4-7(2)11-6)10-12-9(5-15)13-14-10/h3-4,15H,5H2,1-2H3,(H,12,13,14)
InChIKeyYOHOLLQEYFJVBF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds2

About [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 107504760) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID107504760
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1cc(-c2n[nH]c(CO)n2)cc(C)n1
InChIInChI=1S/C10H12N4O/c1-6-3-8(4-7(2)11-6)10-12-9(5-15)13-14-10/h3-4,15H,5H2,1-2H3,(H,12,13,14)
InChIKeyYOHOLLQEYFJVBF-UHFFFAOYSA-N
XLogP0.98
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol (CID 107504760) is [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol is Cc1cc(-c2n[nH]c(CO)n2)cc(C)n1.
What is the InChIKey of [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is YOHOLLQEYFJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-3-8(4-7(2)11-6)10-12-9(5-15)13-14-10/h3-4,15H,5H2,1-2H3,(H,12,13,14).
What are the key properties of [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 204.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 107504760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).