5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

C17H25N7 — CID 29126693

IUPAC5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESCC(C)N1CCc2c(C#N)c(NCCN(C)C)n3cnnc3c2C1
InChIInChI=1S/C17H25N7/c1-12(2)23-7-5-13-14(9-18)16(19-6-8-22(3)4)24-11-20-21-17(24)15(13)10-23/h11-12,19H,5-8,10H2,1-4H3
InChIKeyCPMCWMVALMPUGA-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.34
Rot. Bonds5

About 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile

5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (PubChem CID 29126693) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
PubChem CID29126693
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
SMILESCC(C)N1CCc2c(C#N)c(NCCN(C)C)n3cnnc3c2C1
InChIInChI=1S/C17H25N7/c1-12(2)23-7-5-13-14(9-18)16(19-6-8-22(3)4)24-11-20-21-17(24)15(13)10-23/h11-12,19H,5-8,10H2,1-4H3
InChIKeyCPMCWMVALMPUGA-UHFFFAOYSA-N
XLogP1.34
TPSA72.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile (CID 29126693) is 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is CC(C)N1CCc2c(C#N)c(NCCN(C)C)n3cnnc3c2C1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
The InChIKey is CPMCWMVALMPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-12(2)23-7-5-13-14(9-18)16(19-6-8-22(3)4)24-11-20-21-17(24)15(13)10-23/h11-12,19H,5-8,10H2,1-4H3.
What are the key properties of 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile?
5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile has a molecular weight of 327.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-9-propan-2-yl-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile is sourced from PubChem (CID 29126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).