7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C13H15N5O — CID 126677882

IUPAC7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(Cc2cc(N)nc3c2NNN3)cc1
InChIInChI=1S/C13H15N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7,16,18H,6H2,1H3,(H3,14,15,17)
InChIKeyUPPKANBQRQTGPC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.52
Rot. Bonds3

About 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126677882) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126677882
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(Cc2cc(N)nc3c2NNN3)cc1
InChIInChI=1S/C13H15N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7,16,18H,6H2,1H3,(H3,14,15,17)
InChIKeyUPPKANBQRQTGPC-UHFFFAOYSA-N
XLogP1.52
TPSA84.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 135341277
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
4-methoxy-2-(1H-pyrazol-4-ylmethyl)aniline
CID 105455338
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
1-methoxy-4-[4-(4-methoxyphenyl)buta-1,3-dienyl]benzene;4-methoxy-2-[(4-methoxyphenyl)methyl]aniline
CID 173452829

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126677882) is 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is COc1ccc(Cc2cc(N)nc3c2NNN3)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UPPKANBQRQTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7,16,18H,6H2,1H3,(H3,14,15,17).
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 257.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126677882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).