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

C13H23N5 — CID 112939878

IUPAC5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-3-9-14-12-10-15-18-13(17-12)16-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18)
InChIKeyRZNRGYMGADJSGQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.83
Rot. Bonds6

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

5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (PubChem CID 112939878) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
PubChem CID112939878
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1cnnc(NC2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-2-3-9-14-12-10-15-18-13(17-12)16-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18)
InChIKeyRZNRGYMGADJSGQ-UHFFFAOYSA-N
XLogP2.83
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
3-N-cyclohexyl-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112942374
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
3-N-cyclohexyl-5-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942406
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112942189
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
5-N-[2-(3-chlorophenyl)ethyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941693
3-N-cycloheptyl-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949581
5-N-[(2-chlorophenyl)methyl]-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942394

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine (CID 112939878) is 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is CCCCNc1cnnc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
The InChIKey is RZNRGYMGADJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-3-9-14-12-10-15-18-13(17-12)16-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18).
What are the key properties of 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine?
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).