5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine

C12H21N5 — CID 112940460

IUPAC5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)CNc1nncc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-9(2)7-13-12-16-11(8-14-17-12)15-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H2,13,15,16,17)
InChIKeyXBQXFPUCCXOXDR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds5

About 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine

5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112940460) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
PubChem CID112940460
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)CNc1nncc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-9(2)7-13-12-16-11(8-14-17-12)15-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H2,13,15,16,17)
InChIKeyXBQXFPUCCXOXDR-UHFFFAOYSA-N
XLogP2.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-cyclopentyl-3-N-(2-methylpropyl)-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-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938692
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112942189
3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
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-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
3-N-[(2-chlorophenyl)methyl]-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941447
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
5-N-cyclopropyl-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112939096

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (CID 112940460) is 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is CC(C)CNc1nncc(NC2CCCC2)n1.
What is the InChIKey of 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XBQXFPUCCXOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)7-13-12-16-11(8-14-17-12)15-10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).