1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C10H14N6 — CID 58095890

IUPAC1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2ccc(-c3nn[nH]n3)n2CCN1C
InChIInChI=1S/C10H14N6/c1-7-8-3-4-9(10-11-13-14-12-10)16(8)6-5-15(7)2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13,14)
InChIKeyPNYROIPNJQXDOS-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.67
Rot. Bonds1

About 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 58095890) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID58095890
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2ccc(-c3nn[nH]n3)n2CCN1C
InChIInChI=1S/C10H14N6/c1-7-8-3-4-9(10-11-13-14-12-10)16(8)6-5-15(7)2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13,14)
InChIKeyPNYROIPNJQXDOS-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 58095890) is 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2ccc(-c3nn[nH]n3)n2CCN1C.
What is the InChIKey of 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PNYROIPNJQXDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-8-3-4-9(10-11-13-14-12-10)16(8)6-5-15(7)2/h3-4,7H,5-6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 218.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 58095890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).