5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine

C8H11N3 — CID 90733052

IUPAC5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine
SMILESC1=CC(C2=CNCC=N2)NC1
InChIInChI=1S/C8H11N3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-2,5-7,9-10H,3-4H2
InChIKeyGWHQVFNNEMDBQS-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.03
Rot. Bonds1

About 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine

5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine (PubChem CID 90733052) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine.

Molecular Properties

Compound Name5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine
PubChem CID90733052
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine
SMILESC1=CC(C2=CNCC=N2)NC1
InChIInChI=1S/C8H11N3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-2,5-7,9-10H,3-4H2
InChIKeyGWHQVFNNEMDBQS-UHFFFAOYSA-N
XLogP0.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 17859413
1,8a-Dihydro-1,5-naphthyridine
CID 19103933
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
1,2,3,8a-Tetrahydro-1,5-naphthyridine
CID 91443759
2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489343
6-(4H-imidazol-4-yl)-1,2-dihydropyridine
CID 121322291
(3Z,5Z)-N-[1-(1,2-dihydropyridin-2-yl)prop-2-enyl]-5-(ethylideneamino)octa-3,5-dien-4-amine
CID 144290754
N-(4H-azepin-2-ylmethyl)buta-1,3-dien-2-amine
CID 144519148
N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine
CID 146416636
3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;ethane
CID 154693408

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine?
The IUPAC name of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine (CID 90733052) is 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine.
What is the SMILES notation for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine?
The canonical SMILES for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine is C1=CC(C2=CNCC=N2)NC1.
What is the InChIKey of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine?
The InChIKey is GWHQVFNNEMDBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-7(10-3-1)8-6-9-4-5-11-8/h1-2,5-7,9-10H,3-4H2.
What are the key properties of 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine?
5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine has a molecular weight of 149.20 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine is sourced from PubChem (CID 90733052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).