N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine

C18H19N7 — CID 58485237

IUPACN',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc2cc(C3=NN=NC3)ccc2c2cnccc12
InChIInChI=1S/C18H19N7/c1-25(2)8-7-20-18-14-5-6-19-10-15(14)13-4-3-12(9-16(13)22-18)17-11-21-24-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyWVMDSDUHMADPEU-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.93
Rot. Bonds5

About N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine (PubChem CID 58485237) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine
PubChem CID58485237
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nc2cc(C3=NN=NC3)ccc2c2cnccc12
InChIInChI=1S/C18H19N7/c1-25(2)8-7-20-18-14-5-6-19-10-15(14)13-4-3-12(9-16(13)22-18)17-11-21-24-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyWVMDSDUHMADPEU-UHFFFAOYSA-N
XLogP2.93
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine 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

3-[2-bromo-7-(4H-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]-N,N-dimethylpropan-1-amine
CID 158930150
5-(3-chloroanilino)-N-[2-(dimethylamino)ethyl]benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861584
9-[2-(dimethylamino)ethylamino]-5-methylsulfanyl-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 23448035
N-[2-(4-aminobutoxy)ethyl]-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 171065909
9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
CID 136627535
5-[2-[methyl-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butyl]amino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066075
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
3-N-(2-chloropyrido[3,4-d]pyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 137350738
5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066209
methyl 5-[2-[3-(2-aminoethyl)phenyl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxylate
CID 171066233
N-[2-(1-benzofuran-2-yl)pyrido[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69071862
1-[5-(cyclopropylamino)benzo[c][2,6]naphthyridin-8-yl]ethanone
CID 118175984

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine (CID 58485237) is N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine is CN(C)CCNc1nc2cc(C3=NN=NC3)ccc2c2cnccc12.
What is the InChIKey of N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine?
The InChIKey is WVMDSDUHMADPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-25(2)8-7-20-18-14-5-6-19-10-15(14)13-4-3-12(9-16(13)22-18)17-11-21-24-23-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine has a molecular weight of 333.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[8-(4H-triazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 58485237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).