3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine

C9H12N4 — CID 103761758

IUPAC3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC=CC1
InChIInChI=1S/C9H12N4/c10-8-9(12-6-5-11-8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H2,10,11)(H,12,13)
InChIKeyQEWDDTKOZMCXHU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.19
Rot. Bonds2

About 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine

3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine (PubChem CID 103761758) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine
PubChem CID103761758
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine
SMILESNc1nccnc1NC1CC=CC1
InChIInChI=1S/C9H12N4/c10-8-9(12-6-5-11-8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H2,10,11)(H,12,13)
InChIKeyQEWDDTKOZMCXHU-UHFFFAOYSA-N
XLogP1.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
3-N-[(1R,2R)-2-methylcyclopropyl]pyrazine-2,3-diamine
CID 131014799
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
2-(cyclopent-3-en-1-ylamino)-3-fluoropyridine-4-carboxylic acid
CID 105382661
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
3-(2,2-dimethylhydrazinyl)pyrazin-2-amine
CID 102987058
3-[[(3-aminopyrazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 102984602
3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine
CID 166243715
3-N-(3-bicyclo[3.1.0]hexanyl)pyridine-2,3-diamine
CID 130791635

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine?
The IUPAC name of 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine (CID 103761758) is 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine is Nc1nccnc1NC1CC=CC1.
What is the InChIKey of 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine?
The InChIKey is QEWDDTKOZMCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-8-9(12-6-5-11-8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H2,10,11)(H,12,13).
What are the key properties of 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine?
3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine has a molecular weight of 176.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopent-3-en-1-ylpyrazine-2,3-diamine is sourced from PubChem (CID 103761758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).