4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

C12H16N4 — CID 117031414

IUPAC4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCCN)CCN2
InChIInChI=1S/C12H16N4/c13-4-1-6-16-7-5-15-11-3-2-10(9-14)8-12(11)16/h2-3,8,15H,1,4-7,13H2
InChIKeyGNUFPKALUKFYAT-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds3

About 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile

4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 117031414) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID117031414
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCCN)CCN2
InChIInChI=1S/C12H16N4/c13-4-1-6-16-7-5-15-11-3-2-10(9-14)8-12(11)16/h2-3,8,15H,1,4-7,13H2
InChIKeyGNUFPKALUKFYAT-UHFFFAOYSA-N
XLogP1.14
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile (CID 117031414) is 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)N(CCCN)CCN2.
What is the InChIKey of 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is GNUFPKALUKFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-4-1-6-16-7-5-15-11-3-2-10(9-14)8-12(11)16/h2-3,8,15H,1,4-7,13H2.
What are the key properties of 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile?
4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117031414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).