[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol

C13H18N4O — CID 106227746

IUPAC[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
SMILESCCC(N)c1cn(Cc2ccc(CO)cc2)nn1
InChIInChI=1S/C13H18N4O/c1-2-12(14)13-8-17(16-15-13)7-10-3-5-11(9-18)6-4-10/h3-6,8,12,18H,2,7,9,14H2,1H3
InChIKeyCFAHUNDVHYFITO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds5

About [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol

[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol (PubChem CID 106227746) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
PubChem CID106227746
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
SMILESCCC(N)c1cn(Cc2ccc(CO)cc2)nn1
InChIInChI=1S/C13H18N4O/c1-2-12(14)13-8-17(16-15-13)7-10-3-5-11(9-18)6-4-10/h3-6,8,12,18H,2,7,9,14H2,1H3
InChIKeyCFAHUNDVHYFITO-UHFFFAOYSA-N
XLogP1.23
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227889
1-[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161084
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106228352
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228558
4-(1-bromoethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 81450069

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol (CID 106227746) is [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol is CCC(N)c1cn(Cc2ccc(CO)cc2)nn1.
What is the InChIKey of [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol?
The InChIKey is CFAHUNDVHYFITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-12(14)13-8-17(16-15-13)7-10-3-5-11(9-18)6-4-10/h3-6,8,12,18H,2,7,9,14H2,1H3.
What are the key properties of [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol?
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 106227746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).