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

C14H19N3O — CID 113301706

IUPAC[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1ccccc1C
InChIInChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-7-5-4-6-11(12)2/h4-7,18H,3,8-10H2,1-2H3
InChIKeyXTHCQYVPKAYQRQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds5

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

[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 113301706) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID113301706
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1Cc1ccccc1C
InChIInChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-7-5-4-6-11(12)2/h4-7,18H,3,8-10H2,1-2H3
InChIKeyXTHCQYVPKAYQRQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol (CID 113301706) is [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1Cc1ccccc1C.
What is the InChIKey of [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is XTHCQYVPKAYQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-17-13(15-16-14(17)10-18)9-12-7-5-4-6-11(12)2/h4-7,18H,3,8-10H2,1-2H3.
What are the key properties of [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).