1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine

C11H12N6 — CID 90213626

IUPAC1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine
SMILESCc1c(C)n(C)c2cc(-c3nn[nH]n3)ncc12
InChIInChI=1S/C11H12N6/c1-6-7(2)17(3)10-4-9(12-5-8(6)10)11-13-15-16-14-11/h4-5H,1-3H3,(H,13,14,15,16)
InChIKeyXLOUFUJVWJVYJR-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.37
Rot. Bonds1

About 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine

1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine (PubChem CID 90213626) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine
PubChem CID90213626
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine
SMILESCc1c(C)n(C)c2cc(-c3nn[nH]n3)ncc12
InChIInChI=1S/C11H12N6/c1-6-7(2)17(3)10-4-9(12-5-8(6)10)11-13-15-16-14-11/h4-5H,1-3H3,(H,13,14,15,16)
InChIKeyXLOUFUJVWJVYJR-UHFFFAOYSA-N
XLogP1.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine 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

3-[(1H-1,2,3,4-tetrazol-5-yl)methyl]-1H-indole
CID 12015378
3-(2H-Tetrazol-5-yl)-1H-indole
CID 135637718
5-butyl-2-(2H-tetrazol-5-yl)pyridine
CID 323702
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine
CID 44352199
1-[(2,5-dimethylphenyl)methyl]-3-methyl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine
CID 68184515
3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-1H-indole
CID 136086940
1-phenyl-3-(2-phenylethyl)-5-[2-(2H-tetrazol-5-yl)ethyl]indole
CID 59317762
1,2,3,4,8-pentamethyl-2H-dipyrrolo[1,2-b:3',4'-d]pyridazine
CID 762751
3-pyridin-4-yl-5-(2H-tetrazol-5-yl)-1H-indazole
CID 22480244
4H-Pyridazino(4,5-b)indol-4-one, 3,5-dihydro-5-methyl-, hydrazone
CID 3058009
8-(Tetrazol-5-yl)tryptamine
CID 44376321
3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indole
CID 56666179

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine (CID 90213626) is 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine is Cc1c(C)n(C)c2cc(-c3nn[nH]n3)ncc12.
What is the InChIKey of 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine?
The InChIKey is XLOUFUJVWJVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-6-7(2)17(3)10-4-9(12-5-8(6)10)11-13-15-16-14-11/h4-5H,1-3H3,(H,13,14,15,16).
What are the key properties of 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine?
1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine has a molecular weight of 228.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 90213626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).