3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride

C9H12Cl2N4 — CID 155822296

IUPAC3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1c(N)ncc2c1CCNC2
InChIInChI=1S/C9H10N4.2ClH/c10-3-8-7-1-2-12-4-6(7)5-13-9(8)11;;/h5,12H,1-2,4H2,(H2,11,13);2*1H
InChIKeyNETLAKGFILHYPY-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.02
Rot. Bonds

About 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride

3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride (PubChem CID 155822296) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
PubChem CID155822296
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1c(N)ncc2c1CCNC2
InChIInChI=1S/C9H10N4.2ClH/c10-3-8-7-1-2-12-4-6(7)5-13-9(8)11;;/h5,12H,1-2,4H2,(H2,11,13);2*1H
InChIKeyNETLAKGFILHYPY-UHFFFAOYSA-N
XLogP1.02
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
CID 82598786
6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54369933
6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54213695
3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
CID 135818395
1-bromo-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
CID 173071261
6,7,8,9-tetrahydro-[1,2,5]thiadiazolo[3,4-c][2,7]naphthyridine
CID 96624150
5,6,7,8-tetrahydro-2H-pyrido[3,4-d]pyridazin-1-one;hydrochloride
CID 71743924
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
CID 121433880
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189
2-amino-5-ethyl-4-methylpyridine-3-carbonitrile
CID 19707203

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride?
The IUPAC name of 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride (CID 155822296) is 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1c(N)ncc2c1CCNC2.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride?
The InChIKey is NETLAKGFILHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.2ClH/c10-3-8-7-1-2-12-4-6(7)5-13-9(8)11;;/h5,12H,1-2,4H2,(H2,11,13);2*1H.
What are the key properties of 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride?
3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride has a molecular weight of 247.13 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride is sourced from PubChem (CID 155822296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).