3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C14H13FN4O — CID 138707245

IUPAC3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1Cc1nnc2cccc(N)n12
InChIInChI=1S/C14H13FN4O/c1-20-11-5-2-4-10(15)9(11)8-14-18-17-13-7-3-6-12(16)19(13)14/h2-7H,8,16H2,1H3
InChIKeyDPEKNCPSVHQCSR-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.05
Rot. Bonds3

About 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138707245) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID138707245
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1cccc(F)c1Cc1nnc2cccc(N)n12
InChIInChI=1S/C14H13FN4O/c1-20-11-5-2-4-10(15)9(11)8-14-18-17-13-7-3-6-12(16)19(13)14/h2-7H,8,16H2,1H3
InChIKeyDPEKNCPSVHQCSR-UHFFFAOYSA-N
XLogP2.05
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
3-[(4-fluorophenyl)methyl]-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140586
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117257021
3-[(2-fluoro-6-methoxyphenyl)methyl]-1,5-naphthyridin-2-amine
CID 68552739
3-[(2-fluoro-6-methoxyphenyl)methyl]quinolin-2-amine
CID 25227515
CID 59280730
CID 59280730
3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 83808865
2-chloro-5-[(2-fluoro-6-methoxyphenyl)methoxy]-4-methoxyaniline
CID 59309657
2-[(2-methoxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117257564
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138707245) is 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1Cc1nnc2cccc(N)n12.
What is the InChIKey of 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DPEKNCPSVHQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-20-11-5-2-4-10(15)9(11)8-14-18-17-13-7-3-6-12(16)19(13)14/h2-7H,8,16H2,1H3.
What are the key properties of 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 272.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138707245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).