5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine

C11H12ClN5 — CID 141495401

IUPAC5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine
SMILESCN(C)c1cc(N)c(-c2ncncn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5/c1-17(2)7-3-8(12)10(9(13)4-7)11-15-5-14-6-16-11/h3-6H,13H2,1-2H3
InChIKeyIAXIIKHMARDJII-UHFFFAOYSA-N
MW249.71 g/mol
LogP1.84
Rot. Bonds2

About 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine

5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine (PubChem CID 141495401) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine
PubChem CID141495401
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine
SMILESCN(C)c1cc(N)c(-c2ncncn2)c(Cl)c1
InChIInChI=1S/C11H12ClN5/c1-17(2)7-3-8(12)10(9(13)4-7)11-15-5-14-6-16-11/h3-6H,13H2,1-2H3
InChIKeyIAXIIKHMARDJII-UHFFFAOYSA-N
XLogP1.84
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3,5-triazin-2-yl)benzene-1,3,5-triamine
CID 156775753
5-chloro-3-N,3-N-dimethylbenzene-1,3-diamine
CID 18543639
5-(2-bromoethoxy)-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine
CID 57313421
3,5-dichloro-2-N,2-N-dimethylbenzene-1,2-diamine
CID 30029896
2-methyl-4-(1,3,5-triazin-2-yl)aniline
CID 82468520
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline
CID 130353292
3-[(5-chloropyrimidin-4-yl)-methylamino]benzenecarbothioamide
CID 105368968
5-bromo-3-N,3-N-dimethylbenzene-1,3-diamine
CID 131143775
3-chloro-N,N,4-trimethylaniline
CID 12637287
3-chloro-4-methanehydrazonoyl-N,N-dimethylaniline
CID 168531233
5-N,5-N-dimethylpyrimidine-2,5-diamine
CID 45080264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine (CID 141495401) is 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine is CN(C)c1cc(N)c(-c2ncncn2)c(Cl)c1.
What is the InChIKey of 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine?
The InChIKey is IAXIIKHMARDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-17(2)7-3-8(12)10(9(13)4-7)11-15-5-14-6-16-11/h3-6H,13H2,1-2H3.
What are the key properties of 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine?
5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine has a molecular weight of 249.71 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N,1-N-dimethyl-4-(1,3,5-triazin-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 141495401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).