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

C8H13Cl2N5 — CID 81036688

IUPACN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H13Cl2N5/c1-15(2)5-3-4-11-7-6(9)13-14-8(10)12-7/h3-5H2,1-2H3,(H,11,12,14)
InChIKeyLSURTHBWZCKFGB-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.54
Rot. Bonds5

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

N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 81036688) has the molecular formula C8H13Cl2N5 and a molecular weight of 250.13 g/mol. Its IUPAC name is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID81036688
Molecular FormulaC8H13Cl2N5
Molecular Weight250.13 g/mol
Exact Mass249.05
IUPAC NameN-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C8H13Cl2N5/c1-15(2)5-3-4-11-7-6(9)13-14-8(10)12-7/h3-5H2,1-2H3,(H,11,12,14)
InChIKeyLSURTHBWZCKFGB-UHFFFAOYSA-N
XLogP1.54
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81035370
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
3-N-(3,6-dichloro-1,2,4-triazin-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 81038165
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
CID 82459184
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
CID 106341533

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine (CID 81036688) is N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(Cl)nnc1Cl.
What is the InChIKey of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LSURTHBWZCKFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2N5/c1-15(2)5-3-4-11-7-6(9)13-14-8(10)12-7/h3-5H2,1-2H3,(H,11,12,14).
What are the key properties of N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 250.13 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 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',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 81036688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).