9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride

C18H27Cl2N7O — CID 45371073

IUPAC9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride
SMILESCN1CCc2c(C#N)c(NCCCN3CCOCC3)n3cnnc3c2C1.Cl.Cl
InChIInChI=1S/C18H25N7O.2ClH/c1-23-6-3-14-15(11-19)17(25-13-21-22-18(25)16(14)12-23)20-4-2-5-24-7-9-26-10-8-24;;/h13,20H,2-10,12H2,1H3;2*1H
InChIKeyOKXPWDVDUWVRRI-UHFFFAOYSA-N
MW428.37 g/mol
LogP1.57
Rot. Bonds5

About 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride

9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride (PubChem CID 45371073) has the molecular formula C18H27Cl2N7O and a molecular weight of 428.37 g/mol. Its IUPAC name is 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride
PubChem CID45371073
Molecular FormulaC18H27Cl2N7O
Molecular Weight428.37 g/mol
Exact Mass427.17
IUPAC Name9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride
SMILESCN1CCc2c(C#N)c(NCCCN3CCOCC3)n3cnnc3c2C1.Cl.Cl
InChIInChI=1S/C18H25N7O.2ClH/c1-23-6-3-14-15(11-19)17(25-13-21-22-18(25)16(14)12-23)20-4-2-5-24-7-9-26-10-8-24;;/h13,20H,2-10,12H2,1H3;2*1H
InChIKeyOKXPWDVDUWVRRI-UHFFFAOYSA-N
XLogP1.57
TPSA81.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride with MolForge

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Related Compounds

9-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;hydrochloride
CID 45371120
CID 162381502
CID 162381502
5-(2-phenylethylamino)-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
CID 29126563
7-methyl-3-(2-morpholin-4-ylethylamino)-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4887357
11-(3-morpholin-4-ylpropylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 3157189
3-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107106445
2,4-dimethyl-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 162638269
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride?
The IUPAC name of 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride (CID 45371073) is 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride.
What is the SMILES notation for 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride?
The canonical SMILES for 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride is CN1CCc2c(C#N)c(NCCCN3CCOCC3)n3cnnc3c2C1.Cl.Cl.
What is the InChIKey of 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride?
The InChIKey is OKXPWDVDUWVRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O.2ClH/c1-23-6-3-14-15(11-19)17(25-13-21-22-18(25)16(14)12-23)20-4-2-5-24-7-9-26-10-8-24;;/h13,20H,2-10,12H2,1H3;2*1H.
What are the key properties of 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride?
9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride has a molecular weight of 428.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-(3-morpholin-4-ylpropylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile;dihydrochloride is sourced from PubChem (CID 45371073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).