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

C13H13N5O — CID 135341277

IUPAC7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(Cc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C13H13N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeySTKBZTLIQVHPGL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.53
Rot. Bonds3

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

7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 135341277) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID135341277
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(Cc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C13H13N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
InChIKeySTKBZTLIQVHPGL-UHFFFAOYSA-N
XLogP1.53
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
7-[[1-(2-methoxy-4-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675494
7-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126677882
7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164629204
7-[[1-[[(2S,4S)-4-(4-fluorophenoxy)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126677171
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649151
7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 130365920
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 135341277) is 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is COc1ccc(Cc2cc(N)nc3n[nH]nc23)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is STKBZTLIQVHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-19-10-4-2-8(3-5-10)6-9-7-11(14)15-13-12(9)16-18-17-13/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 255.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 135341277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).