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

C10H19N3O — CID 82205283

IUPAC(1-butyl-5-propyltriazol-4-yl)methanol
SMILESCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C10H19N3O/c1-3-5-7-13-10(6-4-2)9(8-14)11-12-13/h14H,3-8H2,1-2H3
InChIKeyNZNNFBDXHDZAIV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.52
Rot. Bonds6

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

(1-butyl-5-propyltriazol-4-yl)methanol (PubChem CID 82205283) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1-butyl-5-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-butyl-5-propyltriazol-4-yl)methanol
PubChem CID82205283
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1-butyl-5-propyltriazol-4-yl)methanol
SMILESCCCCn1nnc(CO)c1CCC
InChIInChI=1S/C10H19N3O/c1-3-5-7-13-10(6-4-2)9(8-14)11-12-13/h14H,3-8H2,1-2H3
InChIKeyNZNNFBDXHDZAIV-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-propyltriazol-4-yl)methanol?
The IUPAC name of (1-butyl-5-propyltriazol-4-yl)methanol (CID 82205283) is (1-butyl-5-propyltriazol-4-yl)methanol.
What is the SMILES notation for (1-butyl-5-propyltriazol-4-yl)methanol?
The canonical SMILES for (1-butyl-5-propyltriazol-4-yl)methanol is CCCCn1nnc(CO)c1CCC.
What is the InChIKey of (1-butyl-5-propyltriazol-4-yl)methanol?
The InChIKey is NZNNFBDXHDZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-5-7-13-10(6-4-2)9(8-14)11-12-13/h14H,3-8H2,1-2H3.
What are the key properties of (1-butyl-5-propyltriazol-4-yl)methanol?
(1-butyl-5-propyltriazol-4-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-propyltriazol-4-yl)methanol is sourced from PubChem (CID 82205283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).