(1-butyltriazol-4-yl)methanol

C7H13N3O — CID 12654353

IUPAC(1-butyltriazol-4-yl)methanol
SMILESCCCCn1cc(CO)nn1
InChIInChI=1S/C7H13N3O/c1-2-3-4-10-5-7(6-11)8-9-10/h5,11H,2-4,6H2,1H3
InChIKeyBXBAADDDPIDOCA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.57
Rot. Bonds4

About (1-butyltriazol-4-yl)methanol

(1-butyltriazol-4-yl)methanol (PubChem CID 12654353) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1-butyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-butyltriazol-4-yl)methanol
PubChem CID12654353
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1-butyltriazol-4-yl)methanol
SMILESCCCCn1cc(CO)nn1
InChIInChI=1S/C7H13N3O/c1-2-3-4-10-5-7(6-11)8-9-10/h5,11H,2-4,6H2,1H3
InChIKeyBXBAADDDPIDOCA-UHFFFAOYSA-N
XLogP0.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyltriazol-4-yl)methanol?
The IUPAC name of (1-butyltriazol-4-yl)methanol (CID 12654353) is (1-butyltriazol-4-yl)methanol.
What is the SMILES notation for (1-butyltriazol-4-yl)methanol?
The canonical SMILES for (1-butyltriazol-4-yl)methanol is CCCCn1cc(CO)nn1.
What is the InChIKey of (1-butyltriazol-4-yl)methanol?
The InChIKey is BXBAADDDPIDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-4-10-5-7(6-11)8-9-10/h5,11H,2-4,6H2,1H3.
What are the key properties of (1-butyltriazol-4-yl)methanol?
(1-butyltriazol-4-yl)methanol has a molecular weight of 155.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyltriazol-4-yl)methanol is sourced from PubChem (CID 12654353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).