2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol

C11H13ClN4O — CID 82210126

IUPAC2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
SMILESNCc1nnn(CCO)c1-c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4O/c12-9-3-1-2-8(6-9)11-10(7-13)14-15-16(11)4-5-17/h1-3,6,17H,4-5,7,13H2
InChIKeyZJGOFCRNMKIIBH-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.05
Rot. Bonds4

About 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol

2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol (PubChem CID 82210126) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
PubChem CID82210126
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
SMILESNCc1nnn(CCO)c1-c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4O/c12-9-3-1-2-8(6-9)11-10(7-13)14-15-16(11)4-5-17/h1-3,6,17H,4-5,7,13H2
InChIKeyZJGOFCRNMKIIBH-UHFFFAOYSA-N
XLogP1.05
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210758
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
[1-[(3-chlorophenyl)methyl]-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82203675
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
2-[1-(2-hydroxyethyl)-5-phenyltriazol-4-yl]acetic acid
CID 82210158
3-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol (CID 82210126) is 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol is NCc1nnn(CCO)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol?
The InChIKey is ZJGOFCRNMKIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-9-3-1-2-8(6-9)11-10(7-13)14-15-16(11)4-5-17/h1-3,6,17H,4-5,7,13H2.
What are the key properties of 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol?
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol has a molecular weight of 252.71 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol is sourced from PubChem (CID 82210126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).