4,6-dibutyl-1,3,5-triazine-2-carboxamide

C12H20N4O — CID 118936403

IUPAC4,6-dibutyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1nc(CCCC)nc(C(N)=O)n1
InChIInChI=1S/C12H20N4O/c1-3-5-7-9-14-10(8-6-4-2)16-12(15-9)11(13)17/h3-8H2,1-2H3,(H2,13,17)
InChIKeyLOEMLHFLEBXZMQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.66
Rot. Bonds7

About 4,6-dibutyl-1,3,5-triazine-2-carboxamide

4,6-dibutyl-1,3,5-triazine-2-carboxamide (PubChem CID 118936403) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4,6-dibutyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-dibutyl-1,3,5-triazine-2-carboxamide
PubChem CID118936403
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4,6-dibutyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1nc(CCCC)nc(C(N)=O)n1
InChIInChI=1S/C12H20N4O/c1-3-5-7-9-14-10(8-6-4-2)16-12(15-9)11(13)17/h3-8H2,1-2H3,(H2,13,17)
InChIKeyLOEMLHFLEBXZMQ-UHFFFAOYSA-N
XLogP1.66
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-propyl-1,3,5-triazine-2-carboxamide
CID 90380601
4-Butyl-6-methyl-1,3,5-triazine-2-carboxamide
CID 90391478
4,6-Dimethyl-1,3,5-triazine-2-carboxamide
CID 118936004
4-Butyl-1,3,5-triazine-2-carboxamide
CID 118936266
4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936335
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054
4-Amino-6-propyl-1,3,5-triazine-2-carbonitrile;4-amino-6-propyl-1,3,5-triazine-2-carboxamide
CID 161157990
6-Methyl-1,3,5-triazine-2,4-dicarboxamide
CID 129935710

Frequently Asked Questions

What is the IUPAC name of 4,6-dibutyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-dibutyl-1,3,5-triazine-2-carboxamide (CID 118936403) is 4,6-dibutyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-dibutyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-dibutyl-1,3,5-triazine-2-carboxamide is CCCCc1nc(CCCC)nc(C(N)=O)n1.
What is the InChIKey of 4,6-dibutyl-1,3,5-triazine-2-carboxamide?
The InChIKey is LOEMLHFLEBXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-5-7-9-14-10(8-6-4-2)16-12(15-9)11(13)17/h3-8H2,1-2H3,(H2,13,17).
What are the key properties of 4,6-dibutyl-1,3,5-triazine-2-carboxamide?
4,6-dibutyl-1,3,5-triazine-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibutyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 118936403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).