5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine

C14H25N5 — CID 112942256

IUPAC5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C14H25N5/c1-2-3-7-10-15-14-18-13(11-16-19-14)17-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18,19)
InChIKeySIJVTUHTFYKGKR-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.22
Rot. Bonds7

About 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine

5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine (PubChem CID 112942256) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
PubChem CID112942256
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
SMILESCCCCCNc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C14H25N5/c1-2-3-7-10-15-14-18-13(11-16-19-14)17-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18,19)
InChIKeySIJVTUHTFYKGKR-UHFFFAOYSA-N
XLogP3.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N-cyclohexyl-3-N-pentyl-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-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112942189
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300
5-N-cyclopropyl-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112939096
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
3-N-[(4-chlorophenyl)methyl]-5-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942208
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine (CID 112942256) is 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine is CCCCCNc1nncc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine?
The InChIKey is SIJVTUHTFYKGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-3-7-10-15-14-18-13(11-16-19-14)17-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H2,15,17,18,19).
What are the key properties of 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine has a molecular weight of 263.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).