[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol

C10H12N4O — CID 170128515

IUPAC[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol
SMILESCn1cnc(-c2cccc(N)c2CO)n1
InChIInChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-3-2-4-9(11)8(7)5-15/h2-4,6,15H,5,11H2,1H3
InChIKeyJBJCSJRUBSSBKN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.56
Rot. Bonds2

About [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol

[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol (PubChem CID 170128515) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol
PubChem CID170128515
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol
SMILESCn1cnc(-c2cccc(N)c2CO)n1
InChIInChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-3-2-4-9(11)8(7)5-15/h2-4,6,15H,5,11H2,1H3
InChIKeyJBJCSJRUBSSBKN-UHFFFAOYSA-N
XLogP0.56
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol?
The IUPAC name of [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol (CID 170128515) is [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol.
What is the SMILES notation for [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol?
The canonical SMILES for [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol is Cn1cnc(-c2cccc(N)c2CO)n1.
What is the InChIKey of [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol?
The InChIKey is JBJCSJRUBSSBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-6-12-10(13-14)7-3-2-4-9(11)8(7)5-15/h2-4,6,15H,5,11H2,1H3.
What are the key properties of [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol?
[2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol has a molecular weight of 204.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanol is sourced from PubChem (CID 170128515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).