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

C10H10N6 — CID 166734558

IUPAC1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
SMILESCc1cn(C)c2ccc(-c3nn[nH]n3)nc12
InChIInChI=1S/C10H10N6/c1-6-5-16(2)8-4-3-7(11-9(6)8)10-12-14-15-13-10/h3-5H,1-2H3,(H,12,13,14,15)
InChIKeyWGHWUVNGNYOOOB-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.06
Rot. Bonds1

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

1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine (PubChem CID 166734558) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
PubChem CID166734558
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
SMILESCc1cn(C)c2ccc(-c3nn[nH]n3)nc12
InChIInChI=1S/C10H10N6/c1-6-5-16(2)8-4-3-7(11-9(6)8)10-12-14-15-13-10/h3-5H,1-2H3,(H,12,13,14,15)
InChIKeyWGHWUVNGNYOOOB-UHFFFAOYSA-N
XLogP1.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 162214030
5-chloro-1,3-dimethylpyrrolo[3,2-b]pyridine
CID 135397124
1,2,3-trimethyl-6-(2H-tetrazol-5-yl)pyrrolo[3,2-c]pyridine
CID 90213626
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
5-(3-methylfuran-2-yl)-2H-tetrazole
CID 69188798
1-methyl-3-(2H-tetrazol-5-ylsulfanyl)indole
CID 102131559
4-methyl-2-propyl-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]benzimidazole
CID 19383087
6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 170313898
5-(2H-triazol-4-yl)-2H-tetrazole;hydrate
CID 175098819
7,8-dimethyl-2-(2H-tetrazol-5-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 70985298
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
CID 90940369

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine (CID 166734558) is 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine is Cc1cn(C)c2ccc(-c3nn[nH]n3)nc12.
What is the InChIKey of 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is WGHWUVNGNYOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-6-5-16(2)8-4-3-7(11-9(6)8)10-12-14-15-13-10/h3-5H,1-2H3,(H,12,13,14,15).
What are the key properties of 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine?
1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 214.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 166734558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).