[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol

C10H11N3O — CID 79600441

IUPAC[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1ccc(-c2n[nH]c(CO)n2)cc1
InChIInChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)10-11-9(6-14)12-13-10/h2-5,14H,6H2,1H3,(H,11,12,13)
InChIKeyLWFHKBPSLPWSSU-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.27
Rot. Bonds2

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

[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 79600441) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID79600441
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCc1ccc(-c2n[nH]c(CO)n2)cc1
InChIInChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)10-11-9(6-14)12-13-10/h2-5,14H,6H2,1H3,(H,11,12,13)
InChIKeyLWFHKBPSLPWSSU-UHFFFAOYSA-N
XLogP1.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol (CID 79600441) is [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol is Cc1ccc(-c2n[nH]c(CO)n2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is LWFHKBPSLPWSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)10-11-9(6-14)12-13-10/h2-5,14H,6H2,1H3,(H,11,12,13).
What are the key properties of [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 189.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 79600441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).