1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine

C12H14N6 — CID 162214030

IUPAC1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cn(C)c2ccc(-c3nn[nH]n3)nc12
InChIInChI=1S/C12H14N6/c1-7(2)8-6-18(3)10-5-4-9(13-11(8)10)12-14-16-17-15-12/h4-7H,1-3H3,(H,14,15,16,17)
InChIKeyHAUDAMOTLNEXMH-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.88
Rot. Bonds2

About 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine

1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine (PubChem CID 162214030) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
PubChem CID162214030
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cn(C)c2ccc(-c3nn[nH]n3)nc12
InChIInChI=1S/C12H14N6/c1-7(2)8-6-18(3)10-5-4-9(13-11(8)10)12-14-16-17-15-12/h4-7H,1-3H3,(H,14,15,16,17)
InChIKeyHAUDAMOTLNEXMH-UHFFFAOYSA-N
XLogP1.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]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

1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 166734558
ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
CID 177241545
5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
CID 169269212
2,3,5-trimethyl-4-[(1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridin-5-yl)methyl]phenol
CID 162437977
5-(5-propan-2-ylfuran-2-yl)-2H-tetrazole;5-propan-2-yl-2H-tetrazole
CID 164998568
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
6-bromo-3-methyl-4-propan-2-yl-2-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyridine
CID 143142756
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine
CID 90213626
1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
CID 102131559
5-(2H-triazol-4-yl)-2H-tetrazole;hydrate
CID 175098819
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine (CID 162214030) is 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine is CC(C)c1cn(C)c2ccc(-c3nn[nH]n3)nc12.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is HAUDAMOTLNEXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7(2)8-6-18(3)10-5-4-9(13-11(8)10)12-14-16-17-15-12/h4-7H,1-3H3,(H,14,15,16,17).
What are the key properties of 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 242.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 162214030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).