[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol

C9H10N4O — CID 59313807

IUPAC[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol
SMILESNc1cc(CO)cc(-n2cncn2)c1
InChIInChI=1S/C9H10N4O/c10-8-1-7(4-14)2-9(3-8)13-6-11-5-12-13/h1-3,5-6,14H,4,10H2
InChIKeyUETIIBMXFIOEOA-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.34
Rot. Bonds2

About [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol

[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol (PubChem CID 59313807) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol
PubChem CID59313807
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol
SMILESNc1cc(CO)cc(-n2cncn2)c1
InChIInChI=1S/C9H10N4O/c10-8-1-7(4-14)2-9(3-8)13-6-11-5-12-13/h1-3,5-6,14H,4,10H2
InChIKeyUETIIBMXFIOEOA-UHFFFAOYSA-N
XLogP0.34
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
CID 106531142
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 107275092
5-(1,2,4-triazol-1-yl)pyridin-3-ol
CID 163282109
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
4-[3-(1,2,4-triazol-1-yl)phenyl]butanoic acid
CID 117334098
3-(4-aminophenyl)-3-methyl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 166319108
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
1-[4-(chloromethyl)-2,6-difluorophenyl]-1,2,4-triazole
CID 63077069
3-iodo-4-(1,2,4-triazol-1-yl)aniline
CID 66094610
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol?
The IUPAC name of [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol (CID 59313807) is [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol is Nc1cc(CO)cc(-n2cncn2)c1.
What is the InChIKey of [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol?
The InChIKey is UETIIBMXFIOEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-8-1-7(4-14)2-9(3-8)13-6-11-5-12-13/h1-3,5-6,14H,4,10H2.
What are the key properties of [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol?
[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol has a molecular weight of 190.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol is sourced from PubChem (CID 59313807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).