3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine

C12H14N4 — CID 102984290

IUPAC3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
SMILESCC1CC1Nc1nc2ccccc2nc1N
InChIInChI=1S/C12H14N4/c1-7-6-10(7)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5,7,10H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyHWHALLRIOYCAGY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.03
Rot. Bonds2

About 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine

3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine (PubChem CID 102984290) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
PubChem CID102984290
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
SMILESCC1CC1Nc1nc2ccccc2nc1N
InChIInChI=1S/C12H14N4/c1-7-6-10(7)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5,7,10H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyHWHALLRIOYCAGY-UHFFFAOYSA-N
XLogP2.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine (CID 102984290) is 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine is CC1CC1Nc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine?
The InChIKey is HWHALLRIOYCAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-7-6-10(7)16-12-11(13)14-8-4-2-3-5-9(8)15-12/h2-5,7,10H,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine?
3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102984290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).