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

C16H15N5 — CID 126676489

IUPAC7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccccccccc2)c2n[nH]nc2n1
InChIInChI=1S/C16H15N5/c17-14-11-13(15-16(18-14)20-21-19-15)10-12-8-6-4-2-1-3-5-7-9-12/h1-9,11H,10H2,(H3,17,18,19,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,12-8+,12-9+
InChIKeyJEULKWOQYVWAIH-JOURZZCFSA-N
MW277.33 g/mol
LogP2.65
Rot. Bonds2

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

7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126676489) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126676489
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccccccccc2)c2n[nH]nc2n1
InChIInChI=1S/C16H15N5/c17-14-11-13(15-16(18-14)20-21-19-15)10-12-8-6-4-2-1-3-5-7-9-12/h1-9,11H,10H2,(H3,17,18,19,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,12-8+,12-9+
InChIKeyJEULKWOQYVWAIH-JOURZZCFSA-N
XLogP2.65
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164629204
7-(1H-indazol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126679445
7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676782
7-ethyl-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676575
1-[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-4-phenylbutan-1-one;4-phenyl-1-[3-[(2,3,6-triamino-4-pyridinyl)methyl]phenyl]butan-1-one
CID 162262226
7-[(1-methylindazol-6-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126650381
7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164623957
7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649812
7-[[1-[(3-pyridin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675681
7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676279
7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675532
7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431877

Frequently Asked Questions

What is the IUPAC name of 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 126676489) is 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccccccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is JEULKWOQYVWAIH-JOURZZCFSA-N. The full InChI is InChI=1S/C16H15N5/c17-14-11-13(15-16(18-14)20-21-19-15)10-12-8-6-4-2-1-3-5-7-9-12/h1-9,11H,10H2,(H3,17,18,19,20,21)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,12-8+,12-9+.
What are the key properties of 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 277.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).