(5-benzyl-1-butyltriazol-4-yl)methanol

C14H19N3O — CID 82205364

IUPAC(5-benzyl-1-butyltriazol-4-yl)methanol
SMILESCCCCn1nnc(CO)c1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-3-9-17-14(13(11-18)15-16-17)10-12-7-5-4-6-8-12/h4-8,18H,2-3,9-11H2,1H3
InChIKeyHCIBHIUZHUNYEQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds6

About (5-benzyl-1-butyltriazol-4-yl)methanol

(5-benzyl-1-butyltriazol-4-yl)methanol (PubChem CID 82205364) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (5-benzyl-1-butyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-benzyl-1-butyltriazol-4-yl)methanol
PubChem CID82205364
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(5-benzyl-1-butyltriazol-4-yl)methanol
SMILESCCCCn1nnc(CO)c1Cc1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-3-9-17-14(13(11-18)15-16-17)10-12-7-5-4-6-8-12/h4-8,18H,2-3,9-11H2,1H3
InChIKeyHCIBHIUZHUNYEQ-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
5-benzyl-1-butyltriazole-4-carbaldehyde
CID 82205366
5-benzyl-1-heptyltriazole-4-carbonitrile
CID 82208067
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
[5-(2-bromophenyl)-1-butyltriazol-4-yl]methanol
CID 94943947
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82205810
[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205856
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
CID 82204977

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-butyltriazol-4-yl)methanol?
The IUPAC name of (5-benzyl-1-butyltriazol-4-yl)methanol (CID 82205364) is (5-benzyl-1-butyltriazol-4-yl)methanol.
What is the SMILES notation for (5-benzyl-1-butyltriazol-4-yl)methanol?
The canonical SMILES for (5-benzyl-1-butyltriazol-4-yl)methanol is CCCCn1nnc(CO)c1Cc1ccccc1.
What is the InChIKey of (5-benzyl-1-butyltriazol-4-yl)methanol?
The InChIKey is HCIBHIUZHUNYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-9-17-14(13(11-18)15-16-17)10-12-7-5-4-6-8-12/h4-8,18H,2-3,9-11H2,1H3.
What are the key properties of (5-benzyl-1-butyltriazol-4-yl)methanol?
(5-benzyl-1-butyltriazol-4-yl)methanol has a molecular weight of 245.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-butyltriazol-4-yl)methanol is sourced from PubChem (CID 82205364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).