4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C10H14N6 — CID 70254567

IUPAC4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCC1c2ccn(-c3nn[nH]n3)c2CCN1C
InChIInChI=1S/C10H14N6/c1-7-8-3-6-16(10-11-13-14-12-10)9(8)4-5-15(7)2/h3,6-7H,4-5H2,1-2H3,(H,11,12,13,14)
InChIKeyKWSNNSUNJXCXKH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.54
Rot. Bonds1

About 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 70254567) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID70254567
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCC1c2ccn(-c3nn[nH]n3)c2CCN1C
InChIInChI=1S/C10H14N6/c1-7-8-3-6-16(10-11-13-14-12-10)9(8)4-5-15(7)2/h3,6-7H,4-5H2,1-2H3,(H,11,12,13,14)
InChIKeyKWSNNSUNJXCXKH-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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Related Compounds

US10273222, Example 62
CID 90407594
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2-methyl-5-(2H-tetrazol-5-yl)pyridine
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2-methyl-3-(2H-tetrazol-5-yl)pyridine
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4-isopropyl-2-methyl-3-(2H-tetrazol-5-yl)pyridine
CID 70704181
1-(2H-tetrazol-5-yl)indole
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3-(4,5-Dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
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5-(4,5-Dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
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CID 23355061

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 70254567) is 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is CC1c2ccn(-c3nn[nH]n3)c2CCN1C.
What is the InChIKey of 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is KWSNNSUNJXCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-8-3-6-16(10-11-13-14-12-10)9(8)4-5-15(7)2/h3,6-7H,4-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
4,5-dimethyl-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-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-1-(2H-tetrazol-5-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 70254567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).