5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine

C19H17ClN6 — CID 112955870

IUPAC5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Nc2cnnc(NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H17ClN6/c20-14-5-7-15(8-6-14)24-18-12-23-26-19(25-18)21-10-9-13-11-22-17-4-2-1-3-16(13)17/h1-8,11-12,22H,9-10H2,(H2,21,24,25,26)
InChIKeyJYWUWJSTHINHGW-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.40
Rot. Bonds6

About 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine

5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112955870) has the molecular formula C19H17ClN6 and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112955870
Molecular FormulaC19H17ClN6
Molecular Weight364.84 g/mol
Exact Mass364.12
IUPAC Name5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESClc1ccc(Nc2cnnc(NCCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H17ClN6/c20-14-5-7-15(8-6-14)24-18-12-23-26-19(25-18)21-10-9-13-11-22-17-4-2-1-3-16(13)17/h1-8,11-12,22H,9-10H2,(H2,21,24,25,26)
InChIKeyJYWUWJSTHINHGW-UHFFFAOYSA-N
XLogP4.40
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-[2-(1H-indol-3-yl)ethyl]-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112955901
5-N-[2-(2-fluorophenyl)ethyl]-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953381
5-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112955734
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
3-N-[2-(1H-indol-3-yl)ethyl]-5-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953897
4-N-(3,5-dichloropyridazin-4-yl)-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59555711
5-N-[2-(1H-indol-3-yl)ethyl]-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112955794
3-N-(2,4-dimethylphenyl)-5-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955753
5-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 112955841
4-[[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112896849
3-N-(4-chlorophenyl)-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953437
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112955870) is 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine is Clc1ccc(Nc2cnnc(NCCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is JYWUWJSTHINHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6/c20-14-5-7-15(8-6-14)24-18-12-23-26-19(25-18)21-10-9-13-11-22-17-4-2-1-3-16(13)17/h1-8,11-12,22H,9-10H2,(H2,21,24,25,26).
What are the key properties of 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine?
5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 364.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chlorophenyl)-3-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112955870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).