5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C12H21N5 — CID 112938895

IUPAC5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C12H21N5/c1-9(2)14-12-16-11(8-13-17-12)15-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYUNARILEICODPP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

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

5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938895) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938895
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1nncc(NC2CCCCC2)n1
InChIInChI=1S/C12H21N5/c1-9(2)14-12-16-11(8-13-17-12)15-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYUNARILEICODPP-UHFFFAOYSA-N
XLogP2.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cycloheptyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938766
5-N-cyclopentyl-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940460
5-N-cyclopentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938496
5-N-cyclohexyl-3-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112942256
5-N-cycloheptyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959189
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
5-N-cycloheptyl-3-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959235
5-N-cyclohexyl-3-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942291
5-N-cyclohexyl-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112942189
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
5-N-cycloheptyl-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959183

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938895) is 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1nncc(NC2CCCCC2)n1.
What is the InChIKey of 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is YUNARILEICODPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)14-12-16-11(8-13-17-12)15-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 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-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).