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

C16H20ClN5 — CID 112942394

IUPAC5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1CNc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5/c17-14-9-5-4-6-12(14)10-18-15-11-19-22-16(21-15)20-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,18,20,21,22)
InChIKeyYTSCFNFUWRONPB-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.88
Rot. Bonds5

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

5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (PubChem CID 112942394) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
PubChem CID112942394
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1CNc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN5/c17-14-9-5-4-6-12(14)10-18-15-11-19-22-16(21-15)20-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,18,20,21,22)
InChIKeyYTSCFNFUWRONPB-UHFFFAOYSA-N
XLogP3.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(2-chlorophenyl)methyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941638
3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112950361
3-N-[(2-chlorophenyl)methyl]-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941447
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
5-N-[(2-chlorophenyl)methyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944542
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948542
4-N-[(2-chlorophenyl)methyl]-2-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907552
5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950247
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (CID 112942394) is 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is Clc1ccccc1CNc1cnnc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The InChIKey is YTSCFNFUWRONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c17-14-9-5-4-6-12(14)10-18-15-11-19-22-16(21-15)20-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,18,20,21,22).
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine has a molecular weight of 317.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).