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

C10H16N4O — CID 54319717

IUPAC4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
SMILESCCCCCNC(=O)c1ncnc(C)n1
InChIInChI=1S/C10H16N4O/c1-3-4-5-6-11-10(15)9-13-7-12-8(2)14-9/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeySQTOHWQLIWZAAK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.10
Rot. Bonds5

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

4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide (PubChem CID 54319717) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
PubChem CID54319717
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide
SMILESCCCCCNC(=O)c1ncnc(C)n1
InChIInChI=1S/C10H16N4O/c1-3-4-5-6-11-10(15)9-13-7-12-8(2)14-9/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeySQTOHWQLIWZAAK-UHFFFAOYSA-N
XLogP1.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
3-(Methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 20589797
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
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
4-Butyl-1,3,5-triazine-2-carboxamide
CID 118936266
N-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936331

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide (CID 54319717) is 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide is CCCCCNC(=O)c1ncnc(C)n1.
What is the InChIKey of 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide?
The InChIKey is SQTOHWQLIWZAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-4-5-6-11-10(15)9-13-7-12-8(2)14-9/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide?
4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 54319717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).