3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine

C19H20ClN5 — CID 112947893

IUPAC3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1CNc1cnnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5/c1-14-4-2-3-5-16(14)12-22-18-13-23-25-19(24-18)21-11-10-15-6-8-17(20)9-7-15/h2-9,13H,10-12H2,1H3,(H2,21,22,24,25)
InChIKeyDSRDZTJRVNASPU-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.10
Rot. Bonds7

About 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine

3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112947893) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
PubChem CID112947893
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1CNc1cnnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN5/c1-14-4-2-3-5-16(14)12-22-18-13-23-25-19(24-18)21-11-10-15-6-8-17(20)9-7-15/h2-9,13H,10-12H2,1H3,(H2,21,22,24,25)
InChIKeyDSRDZTJRVNASPU-UHFFFAOYSA-N
XLogP4.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
3-N-[2-(4-chlorophenyl)ethyl]-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953383
3-N-[2-(3-chlorophenyl)ethyl]-5-N-[2-(4-chlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112956119
5-N-(5-chloro-2-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112953015
3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
3-N-[2-(2-fluorophenyl)ethyl]-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949549
3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948542
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950891
5-N-[3-(dimethylamino)propyl]-3-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112945423
3-N-(3,4-difluorophenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948029
3-N-(5-chloro-2-methylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952862
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine (CID 112947893) is 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine is Cc1ccccc1CNc1cnnc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is DSRDZTJRVNASPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-14-4-2-3-5-16(14)12-22-18-13-23-25-19(24-18)21-11-10-15-6-8-17(20)9-7-15/h2-9,13H,10-12H2,1H3,(H2,21,22,24,25).
What are the key properties of 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine?
3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 353.86 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112947893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).