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

C16H19N5O — CID 126679440

IUPAC7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCCCOc1cccc(Cc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C16H19N5O/c1-2-3-7-22-13-6-4-5-11(9-13)8-12-10-14(17)18-16-15(12)19-21-20-16/h4-6,9-10H,2-3,7-8H2,1H3,(H3,17,18,19,20,21)
InChIKeyNJSFVYNOYNFPJM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.70
Rot. Bonds6

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

7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679440) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679440
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCCCOc1cccc(Cc2cc(N)nc3n[nH]nc23)c1
InChIInChI=1S/C16H19N5O/c1-2-3-7-22-13-6-4-5-11(9-13)8-12-10-14(17)18-16-15(12)19-21-20-16/h4-6,9-10H,2-3,7-8H2,1H3,(H3,17,18,19,20,21)
InChIKeyNJSFVYNOYNFPJM-UHFFFAOYSA-N
XLogP2.70
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(3-butoxyphenyl)methyl]-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

4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
5-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186487
US11419874, Example 5
CID 110173727
5,7-dimethyl-2-propyl-3-[[5-(2H-tetrazol-5-yl)benzo[b][1]benzoxepin-2-yl]methyl]imidazo[4,5-b]pyridine
CID 11754146
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236
2-(4-aminophenyl)-3-methoxy-N-[(3-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 4602899
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-5-amine
CID 42602632
n-(5-(3-(Benzyloxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625983
3-(2-Fluoro-5-propan-2-yloxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46198541

Frequently Asked Questions

What is the IUPAC name of 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679440) is 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is CCCCOc1cccc(Cc2cc(N)nc3n[nH]nc23)c1.
What is the InChIKey of 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NJSFVYNOYNFPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-3-7-22-13-6-4-5-11(9-13)8-12-10-14(17)18-16-15(12)19-21-20-16/h4-6,9-10H,2-3,7-8H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 297.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-butoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).