[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C10H9Cl2N3O — CID 115396918

IUPAC[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-15-8(5-16)13-14-10(15)9-6(11)3-2-4-7(9)12/h2-4,16H,5H2,1H3
InChIKeyLRHKQQHFXGNHPT-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.28
Rot. Bonds2

About [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396918) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396918
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2N3O/c1-15-8(5-16)13-14-10(15)9-6(11)3-2-4-7(9)12/h2-4,16H,5H2,1H3
InChIKeyLRHKQQHFXGNHPT-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 115396918) is [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is LRHKQQHFXGNHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-8(5-16)13-14-10(15)9-6(11)3-2-4-7(9)12/h2-4,16H,5H2,1H3.
What are the key properties of [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 258.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).