(1-heptyltriazol-4-yl)methanol

C10H19N3O — CID 12654355

IUPAC(1-heptyltriazol-4-yl)methanol
SMILESCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C10H19N3O/c1-2-3-4-5-6-7-13-8-10(9-14)11-12-13/h8,14H,2-7,9H2,1H3
InChIKeyPRZSQBMDQIOHLF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.74
Rot. Bonds7

About (1-heptyltriazol-4-yl)methanol

(1-heptyltriazol-4-yl)methanol (PubChem CID 12654355) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1-heptyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-heptyltriazol-4-yl)methanol
PubChem CID12654355
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1-heptyltriazol-4-yl)methanol
SMILESCCCCCCCn1cc(CO)nn1
InChIInChI=1S/C10H19N3O/c1-2-3-4-5-6-7-13-8-10(9-14)11-12-13/h8,14H,2-7,9H2,1H3
InChIKeyPRZSQBMDQIOHLF-UHFFFAOYSA-N
XLogP1.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.74
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-heptyltriazol-4-yl)methanol?
The IUPAC name of (1-heptyltriazol-4-yl)methanol (CID 12654355) is (1-heptyltriazol-4-yl)methanol.
What is the SMILES notation for (1-heptyltriazol-4-yl)methanol?
The canonical SMILES for (1-heptyltriazol-4-yl)methanol is CCCCCCCn1cc(CO)nn1.
What is the InChIKey of (1-heptyltriazol-4-yl)methanol?
The InChIKey is PRZSQBMDQIOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-4-5-6-7-13-8-10(9-14)11-12-13/h8,14H,2-7,9H2,1H3.
What are the key properties of (1-heptyltriazol-4-yl)methanol?
(1-heptyltriazol-4-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptyltriazol-4-yl)methanol is sourced from PubChem (CID 12654355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).