7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

C13H11N5O2 — CID 126679239

IUPAC7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3c(c2)OCO3)c2n[nH]nc2n1
InChIInChI=1S/C13H11N5O2/c14-11-5-8(12-13(15-11)17-18-16-12)3-7-1-2-9-10(4-7)20-6-19-9/h1-2,4-5H,3,6H2,(H3,14,15,16,17,18)
InChIKeyPBHMBPQTHNZYJR-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.25
Rot. Bonds2

About 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679239) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679239
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3c(c2)OCO3)c2n[nH]nc2n1
InChIInChI=1S/C13H11N5O2/c14-11-5-8(12-13(15-11)17-18-16-12)3-7-1-2-9-10(4-7)20-6-19-9/h1-2,4-5H,3,6H2,(H3,14,15,16,17,18)
InChIKeyPBHMBPQTHNZYJR-UHFFFAOYSA-N
XLogP1.25
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(1,3-benzodioxol-5-ylmethyl)-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

SB-505124
CID 9858940
5-(1,3-Benzodioxol-5-Ylmethyl)-10-Fluoro[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 51037112
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
2-(1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 242962
5-(1,3-benzodioxol-5-ylmethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
CID 75277379
5-(1,3-Benzodioxol-5-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline-2,8-diamine
CID 51036677
5-Benzo[1,3]dioxol-5-ylmethyl-8-fluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 51036893
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857649
6-(3,4-Dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 137348600
Benzo[1,3]dioxol-5-ylmethyl-(3-benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-amine
CID 650840
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2138525
N-[2-(3,4-dimethoxyphenyl)ethyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 9550790

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679239) is 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc3c(c2)OCO3)c2n[nH]nc2n1.
What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is PBHMBPQTHNZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-11-5-8(12-13(15-11)17-18-16-12)3-7-1-2-9-10(4-7)20-6-19-9/h1-2,4-5H,3,6H2,(H3,14,15,16,17,18).
What are the key properties of 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 269.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).