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

C9H14N4O — CID 118936331

IUPACN-butyl-N-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ncncn1
InChIInChI=1S/C9H14N4O/c1-3-4-5-13(2)9(14)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyRDHKUJLHHUYJIZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.74
Rot. Bonds4

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

N-butyl-N-methyl-1,3,5-triazine-2-carboxamide (PubChem CID 118936331) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-butyl-N-methyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1,3,5-triazine-2-carboxamide
PubChem CID118936331
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-butyl-N-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ncncn1
InChIInChI=1S/C9H14N4O/c1-3-4-5-13(2)9(14)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3
InChIKeyRDHKUJLHHUYJIZ-UHFFFAOYSA-N
XLogP0.74
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethyl-1,3,5-triazine-2-carboxamide
CID 69760476
N-propyl-1,3,5-triazine-2-carboxamide
CID 69760590
N,N-bis(prop-2-enyl)-1,3,5-triazine-2-carboxamide
CID 90391583
4-Butyl-1,3,5-triazine-2-carboxamide
CID 118936266
4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936335
N,N-dibutyl-1,3,5-triazine-2-carboxamide
CID 118936402
2-N,4-N-dibutyl-1,3,5-triazine-2,4-dicarboxamide
CID 118936452

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-1,3,5-triazine-2-carboxamide (CID 118936331) is N-butyl-N-methyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1,3,5-triazine-2-carboxamide is CCCCN(C)C(=O)c1ncncn1.
What is the InChIKey of N-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
The InChIKey is RDHKUJLHHUYJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-5-13(2)9(14)8-11-6-10-7-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1,3,5-triazine-2-carboxamide?
N-butyl-N-methyl-1,3,5-triazine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 118936331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).