1,2,3,4-tetrahydrocinnolin-4-amine

C8H11N3 — CID 91488141

IUPAC1,2,3,4-tetrahydrocinnolin-4-amine
SMILESNC1CNNc2ccccc21
InChIInChI=1S/C8H11N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5,9H2
InChIKeyCWJIRWHHBNJFQF-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.62
Rot. Bonds

About 1,2,3,4-tetrahydrocinnolin-4-amine

1,2,3,4-tetrahydrocinnolin-4-amine (PubChem CID 91488141) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocinnolin-4-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocinnolin-4-amine
PubChem CID91488141
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1,2,3,4-tetrahydrocinnolin-4-amine
SMILESNC1CNNc2ccccc21
InChIInChI=1S/C8H11N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5,9H2
InChIKeyCWJIRWHHBNJFQF-UHFFFAOYSA-N
XLogP0.62
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
(5S)-5-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 96630122
2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 73425029
2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 73424977
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 69401659
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
2,3-dihydro-1H-indazole
CID 18184083
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
1-(2,3,4,5-tetrahydro-1H-1,2-benzodiazepin-4-yl)ethanone
CID 22565439
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrocinnolin-4-amine?
The IUPAC name of 1,2,3,4-tetrahydrocinnolin-4-amine (CID 91488141) is 1,2,3,4-tetrahydrocinnolin-4-amine.
What is the SMILES notation for 1,2,3,4-tetrahydrocinnolin-4-amine?
The canonical SMILES for 1,2,3,4-tetrahydrocinnolin-4-amine is NC1CNNc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydrocinnolin-4-amine?
The InChIKey is CWJIRWHHBNJFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-4,7,10-11H,5,9H2.
What are the key properties of 1,2,3,4-tetrahydrocinnolin-4-amine?
1,2,3,4-tetrahydrocinnolin-4-amine has a molecular weight of 149.20 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocinnolin-4-amine is sourced from PubChem (CID 91488141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).