5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

C14H18ClN5O — CID 112958361

IUPAC5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-13(9-16-19-14)17-10-6-7-12(21-3)11(15)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyCXFUNBZZMLZDEC-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.12
Rot. Bonds6

About 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine

5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958361) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
PubChem CID112958361
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine
SMILESCCN(CC)c1nncc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-13(9-16-19-14)17-10-6-7-12(21-3)11(15)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyCXFUNBZZMLZDEC-UHFFFAOYSA-N
XLogP3.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-benzyl-5-N-(3,4-dimethoxyphenyl)-3-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951788
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685
5-N-(3-chloro-4-methoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961665
3-N-(3-chloro-4-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961559
5-N-(3-chloro-4-methoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963579
3-N-(3-chloro-4-methoxyphenyl)-5-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966884
3-N-butyl-5-N-(3,4-dimethoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960196
5-N-(3-chloro-4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952712
5-N-(3-chloro-4-methoxyphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963748
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963998
3-N-(3-chloro-4-methoxyphenyl)-5-N-(2,6-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966875
5-N-(3,4-dichlorophenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969527

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine (CID 112958361) is 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is CCN(CC)c1nncc(Nc2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
The InChIKey is CXFUNBZZMLZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-20(5-2)14-18-13(9-16-19-14)17-10-6-7-12(21-3)11(15)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine?
5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine has a molecular weight of 307.79 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methoxyphenyl)-3-N,3-N-diethyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).