N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H12ClFN4O — CID 103292828

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1nc2ccc(F)cn2n1
InChIInChI=1S/C14H12ClFN4O/c1-21-12-4-2-3-11(15)10(12)7-17-14-18-13-6-5-9(16)8-20(13)19-14/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyMAFUBACDPSSYMR-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 103292828) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID103292828
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1nc2ccc(F)cn2n1
InChIInChI=1S/C14H12ClFN4O/c1-21-12-4-2-3-11(15)10(12)7-17-14-18-13-6-5-9(16)8-20(13)19-14/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyMAFUBACDPSSYMR-UHFFFAOYSA-N
XLogP3.14
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 103292828) is N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cccc(Cl)c1CNc1nc2ccc(F)cn2n1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MAFUBACDPSSYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c1-21-12-4-2-3-11(15)10(12)7-17-14-18-13-6-5-9(16)8-20(13)19-14/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 306.73 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 103292828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).