(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol

C13H18ClN3O — CID 142678394

IUPAC(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
SMILESCC(C)CN1CNN=C1C(O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9(2)7-17-8-15-16-13(17)12(18)10-5-3-4-6-11(10)14/h3-6,9,12,15,18H,7-8H2,1-2H3
InChIKeyHCUPFLINEFYECM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.21
Rot. Bonds4

About (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol

(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol (PubChem CID 142678394) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
PubChem CID142678394
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
SMILESCC(C)CN1CNN=C1C(O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9(2)7-17-8-15-16-13(17)12(18)10-5-3-4-6-11(10)14/h3-6,9,12,15,18H,7-8H2,1-2H3
InChIKeyHCUPFLINEFYECM-UHFFFAOYSA-N
XLogP2.21
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The IUPAC name of (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol (CID 142678394) is (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol is CC(C)CN1CNN=C1C(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The InChIKey is HCUPFLINEFYECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9(2)7-17-8-15-16-13(17)12(18)10-5-3-4-6-11(10)14/h3-6,9,12,15,18H,7-8H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
(2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol has a molecular weight of 267.76 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2-methylpropyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 142678394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).