N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C14H11ClFN5 — CID 114841724

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESFc1cc(Cl)ccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H11ClFN5/c15-11-2-1-10(13(16)5-11)6-18-12-3-4-14(19-7-12)21-9-17-8-20-21/h1-5,7-9,18H,6H2
InChIKeyWZBNQVXKINBPOU-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 114841724) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID114841724
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESFc1cc(Cl)ccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H11ClFN5/c15-11-2-1-10(13(16)5-11)6-18-12-3-4-14(19-7-12)21-9-17-8-20-21/h1-5,7-9,18H,6H2
InChIKeyWZBNQVXKINBPOU-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107685453
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691631
N-[(2-chlorophenyl)methyl]-3-fluoro-4-(1,2,4-triazol-1-yl)aniline
CID 60934433
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
N-[(2-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704514

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 114841724) is N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is Fc1cc(Cl)ccc1CNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is WZBNQVXKINBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-11-2-1-10(13(16)5-11)6-18-12-3-4-14(19-7-12)21-9-17-8-20-21/h1-5,7-9,18H,6H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 303.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 114841724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).