[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone

C19H15N5O — CID 126677865

IUPAC[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone
SMILESNc1cc(Cc2ccc(C(=O)c3ccccc3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-6-8-14(9-7-12)18(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
InChIKeyNFQAUMODIRAOSU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.76
Rot. Bonds4

About [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone

[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone (PubChem CID 126677865) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone
PubChem CID126677865
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone
SMILESNc1cc(Cc2ccc(C(=O)c3ccccc3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-6-8-14(9-7-12)18(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,20,21,22,23,24)
InChIKeyNFQAUMODIRAOSU-UHFFFAOYSA-N
XLogP2.76
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone with MolForge

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Related Compounds

Bay-1125976
CID 70817911
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
Mpo-IN-4
CID 126650041
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
5-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10390188
7-(2-Amino-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455580
7-[2-(Dimethylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455582
7-[5-Methyl-2-(1-pyrrolidinyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455583
7-[2-(1,2,4-Triazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455587
5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10004489
5-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 10479983
US10214527, Example 17
CID 126650314

Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone (CID 126677865) is [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone is Nc1cc(Cc2ccc(C(=O)c3ccccc3)cc2)c2n[nH]nc2n1.
What is the InChIKey of [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone?
The InChIKey is NFQAUMODIRAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-16-11-15(17-19(21-16)23-24-22-17)10-12-6-8-14(9-7-12)18(25)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,20,21,22,23,24).
What are the key properties of [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone?
[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone has a molecular weight of 329.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-phenylmethanone is sourced from PubChem (CID 126677865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).