1,2-dihydroquinoxalin-2-amine

C8H9N3 — CID 67737882

IUPAC1,2-dihydroquinoxalin-2-amine
SMILESNC1C=Nc2ccccc2N1
InChIInChI=1S/C8H9N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5,8,11H,9H2
InChIKeyKLJJVCIYNFFLBL-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.10
Rot. Bonds

About 1,2-dihydroquinoxalin-2-amine

1,2-dihydroquinoxalin-2-amine (PubChem CID 67737882) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1,2-dihydroquinoxalin-2-amine.

Molecular Properties

Compound Name1,2-dihydroquinoxalin-2-amine
PubChem CID67737882
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1,2-dihydroquinoxalin-2-amine
SMILESNC1C=Nc2ccccc2N1
InChIInChI=1S/C8H9N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5,8,11H,9H2
InChIKeyKLJJVCIYNFFLBL-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-1,2-dihydroquinoxaline
CID 86095880
2-(chloromethyl)-1,2-dihydroquinoxaline
CID 173100773
2-(1,2-dihydroquinoxalin-2-yl)acetic acid
CID 68738150
2-piperazin-1-yl-1,2-dihydroquinoxaline
CID 91422374
methyl 1,2-dihydroquinoxaline-2-carboxylate
CID 141421271
2-(1,2-dihydroquinoxalin-2-yl)quinoxaline
CID 71080279
9,9-dimethyl-8,10,10a,11-tetrahydro-6aH-benzo[b][1,4]benzodiazepin-7-one
CID 134103971
2H-1,4-benzoxazine-2-thiol
CID 141496450
1H-1,3,2-benzodiazarsole
CID 177450035
11,25-dimethoxy-29,30-dioxa-3,10,17,24-tetrazapentacyclo[24.2.1.112,15.04,9.018,23]triaconta-1(28),2,4,6,8,12,14,16,18,20,22,26-dodecaene
CID 100933782
3H-indol-3-ylmethanamine
CID 118101645
(3S)-3-methyl-3H-indole
CID 90192707

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroquinoxalin-2-amine?
The IUPAC name of 1,2-dihydroquinoxalin-2-amine (CID 67737882) is 1,2-dihydroquinoxalin-2-amine.
What is the SMILES notation for 1,2-dihydroquinoxalin-2-amine?
The canonical SMILES for 1,2-dihydroquinoxalin-2-amine is NC1C=Nc2ccccc2N1.
What is the InChIKey of 1,2-dihydroquinoxalin-2-amine?
The InChIKey is KLJJVCIYNFFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5,8,11H,9H2.
What are the key properties of 1,2-dihydroquinoxalin-2-amine?
1,2-dihydroquinoxalin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroquinoxalin-2-amine is sourced from PubChem (CID 67737882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).