(4-methylphenyl)-(3-propyltriazol-4-yl)methanol

C13H17N3O — CID 114684818

IUPAC(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyRLOLJZMYKUUTDB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.08
Rot. Bonds4

About (4-methylphenyl)-(3-propyltriazol-4-yl)methanol

(4-methylphenyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114684818) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4-methylphenyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114684818
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h4-7,9,13,17H,3,8H2,1-2H3
InChIKeyRLOLJZMYKUUTDB-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 115834141
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
CID 114212993
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(4-chloro-2-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 115834072
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (4-methylphenyl)-(3-propyltriazol-4-yl)methanol (CID 114684818) is (4-methylphenyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (4-methylphenyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (4-methylphenyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is RLOLJZMYKUUTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8-16-12(9-14-15-16)13(17)11-6-4-10(2)5-7-11/h4-7,9,13,17H,3,8H2,1-2H3.
What are the key properties of (4-methylphenyl)-(3-propyltriazol-4-yl)methanol?
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 231.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114684818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).