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

C17H22ClN5 — CID 112950361

IUPAC3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1CNc1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C17H22ClN5/c18-15-10-6-5-7-13(15)11-19-17-22-16(12-20-23-17)21-14-8-3-1-2-4-9-14/h5-7,10,12,14H,1-4,8-9,11H2,(H2,19,21,22,23)
InChIKeyUDKGXRCHCSVDFV-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.27
Rot. Bonds5

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

3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine (PubChem CID 112950361) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
PubChem CID112950361
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine
SMILESClc1ccccc1CNc1nncc(NC2CCCCCC2)n1
InChIInChI=1S/C17H22ClN5/c18-15-10-6-5-7-13(15)11-19-17-22-16(12-20-23-17)21-14-8-3-1-2-4-9-14/h5-7,10,12,14H,1-4,8-9,11H2,(H2,19,21,22,23)
InChIKeyUDKGXRCHCSVDFV-UHFFFAOYSA-N
XLogP4.27
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-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

3-N-[(2-chlorophenyl)methyl]-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941447
5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942394
5-N-[(2-chlorophenyl)methyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941638
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
5-N-[(2-chlorophenyl)methyl]-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944542
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
5-N-cycloheptyl-3-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959237
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine (CID 112950361) is 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine is Clc1ccccc1CNc1nncc(NC2CCCCCC2)n1.
What is the InChIKey of 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine?
The InChIKey is UDKGXRCHCSVDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5/c18-15-10-6-5-7-13(15)11-19-17-22-16(12-20-23-17)21-14-8-3-1-2-4-9-14/h5-7,10,12,14H,1-4,8-9,11H2,(H2,19,21,22,23).
What are the key properties of 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine?
3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine has a molecular weight of 331.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112950361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).