5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine

C13H23N5O — CID 112942189

IUPAC5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
SMILESCOCCCNc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-19-9-5-8-14-13-17-12(10-15-18-13)16-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18)
InChIKeyDKNAFHOFPJMWAP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds7

About 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine

5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112942189) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
PubChem CID112942189
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
SMILESCOCCCNc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-19-9-5-8-14-13-17-12(10-15-18-13)16-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18)
InChIKeyDKNAFHOFPJMWAP-UHFFFAOYSA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-N-cyclohexyl-3-N-(3-methoxypropyl)-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-cyclopropyl-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112939096
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
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
5-N-butyl-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112939878
2-N-cyclohexyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112910505
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
3-N-(3-methoxypropyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939491
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine (CID 112942189) is 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine is COCCCNc1nncc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DKNAFHOFPJMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-19-9-5-8-14-13-17-12(10-15-18-13)16-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H2,14,16,17,18).
What are the key properties of 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112942189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).