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

C12H16N4O — CID 82210098

IUPAC2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
SMILESCc1cccc(-c2c(CN)nnn2CCO)c1
InChIInChI=1S/C12H16N4O/c1-9-3-2-4-10(7-9)12-11(8-13)14-15-16(12)5-6-17/h2-4,7,17H,5-6,8,13H2,1H3
InChIKeyIMPJNFOBXJDRBJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.70
Rot. Bonds4

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

2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol (PubChem CID 82210098) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
PubChem CID82210098
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
SMILESCc1cccc(-c2c(CN)nnn2CCO)c1
InChIInChI=1S/C12H16N4O/c1-9-3-2-4-10(7-9)12-11(8-13)14-15-16(12)5-6-17/h2-4,7,17H,5-6,8,13H2,1H3
InChIKeyIMPJNFOBXJDRBJ-UHFFFAOYSA-N
XLogP0.70
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]acetonitrile
CID 82206639
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
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-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
2-(4-methyl-5-phenyltriazol-1-yl)ethanol
CID 18726601
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82207457
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol (CID 82210098) is 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol is Cc1cccc(-c2c(CN)nnn2CCO)c1.
What is the InChIKey of 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol?
The InChIKey is IMPJNFOBXJDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-3-2-4-10(7-9)12-11(8-13)14-15-16(12)5-6-17/h2-4,7,17H,5-6,8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol?
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol has a molecular weight of 232.29 g/mol, XLogP of 0.70, 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-methylphenyl)triazol-1-yl]ethanol is sourced from PubChem (CID 82210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).