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

C14H20ClN3O — CID 141099649

IUPAC(2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
SMILESCCC(C)CN1CNN=C1C(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-10(2)8-18-9-16-17-14(18)13(19)11-6-4-5-7-12(11)15/h4-7,10,13,16,19H,3,8-9H2,1-2H3
InChIKeyHNWKKHIIQDYPMZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.60
Rot. Bonds5

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

(2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol (PubChem CID 141099649) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
PubChem CID141099649
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol
SMILESCCC(C)CN1CNN=C1C(O)c1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-10(2)8-18-9-16-17-14(18)13(19)11-6-4-5-7-12(11)15/h4-7,10,13,16,19H,3,8-9H2,1-2H3
InChIKeyHNWKKHIIQDYPMZ-UHFFFAOYSA-N
XLogP2.60
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.60
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-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The IUPAC name of (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol (CID 141099649) is (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol is CCC(C)CN1CNN=C1C(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
The InChIKey is HNWKKHIIQDYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-10(2)8-18-9-16-17-14(18)13(19)11-6-4-5-7-12(11)15/h4-7,10,13,16,19H,3,8-9H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol?
(2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol has a molecular weight of 281.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2-methylbutyl)-1,5-dihydro-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 141099649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).