(1-pentyl-5-propyltriazol-4-yl)methanol

C11H21N3O — CID 82205637

IUPAC(1-pentyl-5-propyltriazol-4-yl)methanol
SMILESCCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C11H21N3O/c1-3-5-6-8-14-11(7-4-2)10(9-15)12-13-14/h15H,3-9H2,1-2H3
InChIKeyNBVBVVMARRLSFG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.91
Rot. Bonds7

About (1-pentyl-5-propyltriazol-4-yl)methanol

(1-pentyl-5-propyltriazol-4-yl)methanol (PubChem CID 82205637) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1-pentyl-5-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-pentyl-5-propyltriazol-4-yl)methanol
PubChem CID82205637
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1-pentyl-5-propyltriazol-4-yl)methanol
SMILESCCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C11H21N3O/c1-3-5-6-8-14-11(7-4-2)10(9-15)12-13-14/h15H,3-9H2,1-2H3
InChIKeyNBVBVVMARRLSFG-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-pentyl-5-propyltriazol-4-yl)methanol?
The IUPAC name of (1-pentyl-5-propyltriazol-4-yl)methanol (CID 82205637) is (1-pentyl-5-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-pentyl-5-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-pentyl-5-propyltriazol-4-yl)methanol is CCCCCn1nnc(CO)c1CCC.
What is the InChIKey of (1-pentyl-5-propyltriazol-4-yl)methanol?
The InChIKey is NBVBVVMARRLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-6-8-14-11(7-4-2)10(9-15)12-13-14/h15H,3-9H2,1-2H3.
What are the key properties of (1-pentyl-5-propyltriazol-4-yl)methanol?
(1-pentyl-5-propyltriazol-4-yl)methanol has a molecular weight of 211.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyl-5-propyltriazol-4-yl)methanol is sourced from PubChem (CID 82205637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).