4-butyl-6-methyl-1,3,5-triazine-2-carboxamide

C9H14N4O — CID 90391478

IUPAC4-butyl-6-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1nc(C)nc(C(N)=O)n1
InChIInChI=1S/C9H14N4O/c1-3-4-5-7-11-6(2)12-9(13-7)8(10)14/h3-5H2,1-2H3,(H2,10,14)
InChIKeyBCGXXMHEWOEFGQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.62
Rot. Bonds4

About 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide

4-butyl-6-methyl-1,3,5-triazine-2-carboxamide (PubChem CID 90391478) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-butyl-6-methyl-1,3,5-triazine-2-carboxamide
PubChem CID90391478
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-butyl-6-methyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1nc(C)nc(C(N)=O)n1
InChIInChI=1S/C9H14N4O/c1-3-4-5-7-11-6(2)12-9(13-7)8(10)14/h3-5H2,1-2H3,(H2,10,14)
InChIKeyBCGXXMHEWOEFGQ-UHFFFAOYSA-N
XLogP0.62
TPSA81.76 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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-carbamoyl-6-piperidino-1,3,5-triazine
CID 601007
4-Amino-6-propyl-1,3,5-triazine-2-carboxamide
CID 90380601
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
4,6-Dibutyl-1,3,5-triazine-2-carboxamide
CID 118936403
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054
4-Ethyl-1,3,5-triazine-2-carboxamide
CID 140726341
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-butyl-6-methyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide (CID 90391478) is 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide is CCCCc1nc(C)nc(C(N)=O)n1.
What is the InChIKey of 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide?
The InChIKey is BCGXXMHEWOEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-5-7-11-6(2)12-9(13-7)8(10)14/h3-5H2,1-2H3,(H2,10,14).
What are the key properties of 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide?
4-butyl-6-methyl-1,3,5-triazine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-methyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 90391478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).