(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide

C10H17N5 — CID 6496899

IUPAC(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide
SMILESN#CNC1=NCN(C2CCCCC2)CN1
InChIInChI=1S/C10H17N5/c11-6-12-10-13-7-15(8-14-10)9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H2,12,13,14)
InChIKeyXCHXLJKAQJIPBG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.57
Rot. Bonds1

About (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide

(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide (PubChem CID 6496899) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide.

Molecular Properties

Compound Name(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide
PubChem CID6496899
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide
SMILESN#CNC1=NCN(C2CCCCC2)CN1
InChIInChI=1S/C10H17N5/c11-6-12-10-13-7-15(8-14-10)9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H2,12,13,14)
InChIKeyXCHXLJKAQJIPBG-UHFFFAOYSA-N
XLogP0.57
TPSA63.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

n,n'-Dicyclohexylguanidine
CID 407725
1-Cyano-2,3-dicyclohexylguanidine
CID 2825084
2,3-Dicyclohexyl-1,1-dimethylguanidine
CID 14423437
2-(N,N'-dicyclohexylcarbamimidoyl)-1,1,3,3-tetramethylguanidine
CID 15353749
3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine
CID 139291557
N,N''-Dicyclohexyl-N''''-methyl-guanidine; hydrochloride
CID 14771734
2-(Cyclohexylamino)-1,4,5,6-tetrahydropyrimidin-1-ium chloride
CID 169502334
2-N-cyclohexyl-2-N',2-N',4-N,4-N,6-N,6-N-hexamethyl-1,3,5-oxadiazine-2,2,4,6-tetramine
CID 338611
1-Cyano-3-cyclohexyl-2-methylguanidine
CID 10535385
2-Butyl-1-cyano-3-cyclohexylguanidine
CID 10609085
2-(2,6-diamino-3-cyclohexyl-2H-1,3,5-triazin-4-yl)guanidine
CID 18366387
3-Cyano-2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727672

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide?
The IUPAC name of (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide (CID 6496899) is (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide.
What is the SMILES notation for (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide?
The canonical SMILES for (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide is N#CNC1=NCN(C2CCCCC2)CN1.
What is the InChIKey of (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide?
The InChIKey is XCHXLJKAQJIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-6-12-10-13-7-15(8-14-10)9-4-2-1-3-5-9/h9H,1-5,7-8H2,(H2,12,13,14).
What are the key properties of (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide?
(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide has a molecular weight of 207.28 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)cyanamide is sourced from PubChem (CID 6496899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).