4-butyl-N-methyl-1,3,5-triazine-2-carboxamide

C9H14N4O — CID 118936335

IUPAC4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1ncnc(C(=O)NC)n1
InChIInChI=1S/C9H14N4O/c1-3-4-5-7-11-6-12-8(13-7)9(14)10-2/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyUZBRYNMLXQZEMH-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.57
Rot. Bonds4

About 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide

4-butyl-N-methyl-1,3,5-triazine-2-carboxamide (PubChem CID 118936335) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
PubChem CID118936335
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1ncnc(C(=O)NC)n1
InChIInChI=1S/C9H14N4O/c1-3-4-5-7-11-6-12-8(13-7)9(14)10-2/h6H,3-5H2,1-2H3,(H,10,14)
InChIKeyUZBRYNMLXQZEMH-UHFFFAOYSA-N
XLogP0.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-6-(methylamino)-1,3,5-triazine-2-carboxamide
CID 76316488
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
CID 54319717
N-butyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 54374561
N-butyl-1,3,5-triazine-2-carboxamide
CID 67685815
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-ethyl-1,3,5-triazine-2-carboxamide
CID 69760476
N-propyl-1,3,5-triazine-2-carboxamide
CID 69760590
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
4-Butyl-6-methyl-1,3,5-triazine-2-carboxamide
CID 90391478
2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
CID 118936003

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide (CID 118936335) is 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide is CCCCc1ncnc(C(=O)NC)n1.
What is the InChIKey of 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The InChIKey is UZBRYNMLXQZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-5-7-11-6-12-8(13-7)9(14)10-2/h6H,3-5H2,1-2H3,(H,10,14).
What are the key properties of 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
4-butyl-N-methyl-1,3,5-triazine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 118936335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).