4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine

C9H12N6 — CID 143839476

IUPAC4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1NCCc2cn(-c3nn[nH]n3)cc21
InChIInChI=1S/C9H12N6/c1-6-8-5-15(9-11-13-14-12-9)4-7(8)2-3-10-6/h4-6,10H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyJSFWRWZZOZZWEX-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.20
Rot. Bonds1

About 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine

4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine (PubChem CID 143839476) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
PubChem CID143839476
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
SMILESCC1NCCc2cn(-c3nn[nH]n3)cc21
InChIInChI=1S/C9H12N6/c1-6-8-5-15(9-11-13-14-12-9)4-7(8)2-3-10-6/h4-6,10H,2-3H2,1H3,(H,11,12,13,14)
InChIKeyJSFWRWZZOZZWEX-UHFFFAOYSA-N
XLogP0.20
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine (CID 143839476) is 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine is CC1NCCc2cn(-c3nn[nH]n3)cc21.
What is the InChIKey of 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
The InChIKey is JSFWRWZZOZZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-6-8-5-15(9-11-13-14-12-9)4-7(8)2-3-10-6/h4-6,10H,2-3H2,1H3,(H,11,12,13,14).
What are the key properties of 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine?
4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine has a molecular weight of 204.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 143839476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).