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

C9H12N6 — CID 58095783

IUPAC2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCn2c(ccc2-c2nn[nH]n2)C1
InChIInChI=1S/C9H12N6/c1-14-4-5-15-7(6-14)2-3-8(15)9-10-12-13-11-9/h2-3H,4-6H2,1H3,(H,10,11,12,13)
InChIKeyMPHPITOYGLPDRT-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.11
Rot. Bonds1

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

2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 58095783) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID58095783
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCN1CCn2c(ccc2-c2nn[nH]n2)C1
InChIInChI=1S/C9H12N6/c1-14-4-5-15-7(6-14)2-3-8(15)9-10-12-13-11-9/h2-3H,4-6H2,1H3,(H,10,11,12,13)
InChIKeyMPHPITOYGLPDRT-UHFFFAOYSA-N
XLogP0.11
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 58095783) is 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CN1CCn2c(ccc2-c2nn[nH]n2)C1.
What is the InChIKey of 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is MPHPITOYGLPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-14-4-5-15-7(6-14)2-3-8(15)9-10-12-13-11-9/h2-3H,4-6H2,1H3,(H,10,11,12,13).
What are the key properties of 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 204.24 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2H-tetrazol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 58095783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).