N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C10H17Cl2N5 — CID 102995629

IUPACN'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H17Cl2N5/c1-4-17(7-5-6-16(2)3)9-8(11)14-15-10(12)13-9/h4-7H2,1-3H3
InChIKeyNPDIGBMUZUSOMV-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.96
Rot. Bonds6

About N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995629) has the molecular formula C10H17Cl2N5 and a molecular weight of 278.19 g/mol. Its IUPAC name is N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102995629
Molecular FormulaC10H17Cl2N5
Molecular Weight278.19 g/mol
Exact Mass277.09
IUPAC NameN'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1nc(Cl)nnc1Cl
InChIInChI=1S/C10H17Cl2N5/c1-4-17(7-5-6-16(2)3)9-8(11)14-15-10(12)13-9/h4-7H2,1-3H3
InChIKeyNPDIGBMUZUSOMV-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-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

N'-(2-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995627
N'-(4-chlorophthalazin-1-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995593
N'-(2-chloroquinazolin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995601
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
N'-(6-chloro-5-ethylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995636
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998847
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-6-methylpyridine-2,3-diamine
CID 102991165
3,6-dichloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81035201
N'-(4-chloro-1,2,5-thiadiazol-3-yl)-N,N,N'-triethylpropane-1,3-diamine
CID 102995693
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102995629) is N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1nc(Cl)nnc1Cl.
What is the InChIKey of N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is NPDIGBMUZUSOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N5/c1-4-17(7-5-6-16(2)3)9-8(11)14-15-10(12)13-9/h4-7H2,1-3H3.
What are the key properties of N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 278.19 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).