2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol

C14H12FN5O — CID 107685453

IUPAC2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-n3cncn3)nc2)cc1F
InChIInChI=1S/C14H12FN5O/c15-12-5-10(1-3-13(12)21)6-17-11-2-4-14(18-7-11)20-9-16-8-19-20/h1-5,7-9,17,21H,6H2
InChIKeyASAOIUPGBMJGAE-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.12
Rot. Bonds4

About 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol

2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol (PubChem CID 107685453) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
PubChem CID107685453
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-n3cncn3)nc2)cc1F
InChIInChI=1S/C14H12FN5O/c15-12-5-10(1-3-13(12)21)6-17-11-2-4-14(18-7-11)20-9-16-8-19-20/h1-5,7-9,17,21H,6H2
InChIKeyASAOIUPGBMJGAE-UHFFFAOYSA-N
XLogP2.12
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691631
N-[(3-bromo-4-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60927797
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methanamine
CID 16773256
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol (CID 107685453) is 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol is Oc1ccc(CNc2ccc(-n3cncn3)nc2)cc1F.
What is the InChIKey of 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is ASAOIUPGBMJGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-12-5-10(1-3-13(12)21)6-17-11-2-4-14(18-7-11)20-9-16-8-19-20/h1-5,7-9,17,21H,6H2.
What are the key properties of 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol?
2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 285.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 107685453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).