2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide

C24H36N6O3 — CID 171722698

IUPAC2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESO=C(NC1CCCCC1)c1nc(C(=O)NC2CCCCC2)nc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C24H36N6O3/c31-22(25-16-10-4-1-5-11-16)19-28-20(23(32)26-17-12-6-2-7-13-17)30-21(29-19)24(33)27-18-14-8-3-9-15-18/h16-18H,1-15H2,(H,25,31)(H,26,32)(H,27,33)
InChIKeyMIMKVOVRSICTET-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.06
Rot. Bonds6

About 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide

2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 171722698) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID171722698
Molecular FormulaC24H36N6O3
Molecular Weight456.59 g/mol
Exact Mass456.28
IUPAC Name2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide
SMILESO=C(NC1CCCCC1)c1nc(C(=O)NC2CCCCC2)nc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C24H36N6O3/c31-22(25-16-10-4-1-5-11-16)19-28-20(23(32)26-17-12-6-2-7-13-17)30-21(29-19)24(33)27-18-14-8-3-9-15-18/h16-18H,1-15H2,(H,25,31)(H,26,32)(H,27,33)
InChIKeyMIMKVOVRSICTET-UHFFFAOYSA-N
XLogP3.06
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide with MolForge

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Related Compounds

[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134914238
2-N,4-N,6-N-tripentyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 118936662
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
2-N,4-N,6-N-trioctadecyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 169083563
2-N,2-N,4-N-trioctadecyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 169793774
2-N,4-N,6-N-tris(2-bicyclo[2.2.2]octanyl)-1,3,5-triazine-2,4,6-tricarboxamide
CID 171722627
2-N,2-N,4-N,4-N,6-N,6-N-hexacyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 171722717
2-N,2-N,4-N,4-N-tetracyclohexyl-1,3,5-triazine-2,4-dicarboxamide
CID 172064499

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide (CID 171722698) is 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide is O=C(NC1CCCCC1)c1nc(C(=O)NC2CCCCC2)nc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is MIMKVOVRSICTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3/c31-22(25-16-10-4-1-5-11-16)19-28-20(23(32)26-17-12-6-2-7-13-17)30-21(29-19)24(33)27-18-14-8-3-9-15-18/h16-18H,1-15H2,(H,25,31)(H,26,32)(H,27,33).
What are the key properties of 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide?
2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 456.59 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 171722698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).