(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol

C11H19N3O — CID 82204486

IUPAC(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol
SMILESC=CCn1nnc(CO)c1C(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-7-14-11(9(5-2)6-3)10(8-15)12-13-14/h4,9,15H,1,5-8H2,2-3H3
InChIKeyOTRKDOKGGOWFNF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds6

About (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol

(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol (PubChem CID 82204486) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol
PubChem CID82204486
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol
SMILESC=CCn1nnc(CO)c1C(CC)CC
InChIInChI=1S/C11H19N3O/c1-4-7-14-11(9(5-2)6-3)10(8-15)12-13-14/h4,9,15H,1,5-8H2,2-3H3
InChIKeyOTRKDOKGGOWFNF-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82210644
[5-[3-(4-methoxyphenoxy)propyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204654
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
[1-(4-butoxyphenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 94939967
[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204642
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557
[1-(3-chloro-4-fluorophenyl)-5-pentan-3-yltriazol-4-yl]methanol
CID 82195374
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
[5-benzhydryl-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 94946092
(1S)-2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanol
CID 165457787

Frequently Asked Questions

What is the IUPAC name of (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol?
The IUPAC name of (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol (CID 82204486) is (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol.
What is the SMILES notation for (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol?
The canonical SMILES for (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol is C=CCn1nnc(CO)c1C(CC)CC.
What is the InChIKey of (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol?
The InChIKey is OTRKDOKGGOWFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7-14-11(9(5-2)6-3)10(8-15)12-13-14/h4,9,15H,1,5-8H2,2-3H3.
What are the key properties of (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol?
(5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentan-3-yl-1-prop-2-enyltriazol-4-yl)methanol is sourced from PubChem (CID 82204486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).