4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide

C18H30N6O3 — CID 67374963

IUPAC4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
SMILESCCCCNC(=O)c1nnnc(C(=O)NCCCC)c1C(=O)NCCCC
InChIInChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-14(17(26)20-11-8-5-2)22-24-23-15(13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyUWZTVFZPYMJAKZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.46
Rot. Bonds12

About 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide

4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide (PubChem CID 67374963) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide.

Molecular Properties

Compound Name4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
PubChem CID67374963
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide
SMILESCCCCNC(=O)c1nnnc(C(=O)NCCCC)c1C(=O)NCCCC
InChIInChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-14(17(26)20-11-8-5-2)22-24-23-15(13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyUWZTVFZPYMJAKZ-UHFFFAOYSA-N
XLogP1.46
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butylthiadiazole-4-carboxamide
CID 2721175
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
N-butyl-3-methylpyrazine-2-carboxamide
CID 130272239
5-amino-N-butyl-2H-triazole-4-carboxamide
CID 110484769
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
butylurea;silicic acid
CID 86735760
N-butylpyridine-4-carboxamide
CID 5030535
3-N,5-N-dibutyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dicarboxamide
CID 59153783
2-N-butyl-6-methylpyridine-2,3-dicarboxamide
CID 172855038
3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
CID 10667035
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide?
The IUPAC name of 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide (CID 67374963) is 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide.
What is the SMILES notation for 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide?
The canonical SMILES for 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide is CCCCNC(=O)c1nnnc(C(=O)NCCCC)c1C(=O)NCCCC.
What is the InChIKey of 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide?
The InChIKey is UWZTVFZPYMJAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-4-7-10-19-16(25)13-14(17(26)20-11-8-5-2)22-24-23-15(13)18(27)21-12-9-6-3/h4-12H2,1-3H3,(H,19,25)(H,20,26)(H,21,27).
What are the key properties of 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide?
4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N,6-N-tributyltriazine-4,5,6-tricarboxamide is sourced from PubChem (CID 67374963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).