7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H12FN5 — CID 139268888

IUPAC7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cc(Cc2cc(N)nc3n[nH]nc23)ccc1F
InChIInChI=1S/C13H12FN5/c1-7-4-8(2-3-10(7)14)5-9-6-11(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
InChIKeyDVJFAYKOCXLSNJ-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.97
Rot. Bonds2

About 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 139268888) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID139268888
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cc(Cc2cc(N)nc3n[nH]nc23)ccc1F
InChIInChI=1S/C13H12FN5/c1-7-4-8(2-3-10(7)14)5-9-6-11(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19)
InChIKeyDVJFAYKOCXLSNJ-UHFFFAOYSA-N
XLogP1.97
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 139268888) is 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1cc(Cc2cc(N)nc3n[nH]nc23)ccc1F.
What is the InChIKey of 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DVJFAYKOCXLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-7-4-8(2-3-10(7)14)5-9-6-11(15)16-13-12(9)17-19-18-13/h2-4,6H,5H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 257.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-3-methylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 139268888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).