3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine

C19H27N5 — CID 112959280

IUPAC3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1ccc(Nc2cnnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-14(2)15-9-11-17(12-10-15)21-18-13-20-24-19(23-18)22-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyHRJAQWDGZYLFQU-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.87
Rot. Bonds5

About 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine

3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112959280) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112959280
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)c1ccc(Nc2cnnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H27N5/c1-14(2)15-9-11-17(12-10-15)21-18-13-20-24-19(23-18)22-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyHRJAQWDGZYLFQU-UHFFFAOYSA-N
XLogP4.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-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-(3-chloro-4-methylphenyl)-3-N-cycloheptyl-1,2,4-triazine-3,5-diamine
CID 112959293
3-N-cycloheptyl-5-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959352
3-N-cyclopentyl-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112941706
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
3-N-cyclopentyl-5-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112941777
N-[(1R,2S)-2-[[5-(4-propan-2-ylanilino)-1,2,4-triazin-3-yl]amino]cyclohexyl]prop-2-enamide
CID 135361524
3-N-cyclohexyl-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112942474
3-N-cyclohexyl-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazine-3,5-diamine
CID 112942532
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112959280) is 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is CC(C)c1ccc(Nc2cnnc(NC3CCCCCC3)n2)cc1.
What is the InChIKey of 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HRJAQWDGZYLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-14(2)15-9-11-17(12-10-15)21-18-13-20-24-19(23-18)22-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 325.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).