4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine

C10H14N6 — CID 70254569

IUPAC4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine
SMILESCC1c2cn(-c3nn[nH]n3)cc2CCN1C
InChIInChI=1S/C10H14N6/c1-7-9-6-16(10-11-13-14-12-10)5-8(9)3-4-15(7)2/h5-7H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyFQQJDPHMQZTOTL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.54
Rot. Bonds1

About 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine

4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine (PubChem CID 70254569) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine
PubChem CID70254569
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine
SMILESCC1c2cn(-c3nn[nH]n3)cc2CCN1C
InChIInChI=1S/C10H14N6/c1-7-9-6-16(10-11-13-14-12-10)5-8(9)3-4-15(7)2/h5-7H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyFQQJDPHMQZTOTL-UHFFFAOYSA-N
XLogP0.54
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine (CID 70254569) is 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine is CC1c2cn(-c3nn[nH]n3)cc2CCN1C.
What is the InChIKey of 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine?
The InChIKey is FQQJDPHMQZTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-9-6-16(10-11-13-14-12-10)5-8(9)3-4-15(7)2/h5-7H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine?
4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine has a molecular weight of 218.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 70254569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).