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

C8H12N4O — CID 118936266

IUPAC4-butyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1ncnc(C(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-2-3-4-6-10-5-11-8(12-6)7(9)13/h5H,2-4H2,1H3,(H2,9,13)
InChIKeyBUQNVNAWIQTZDP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.31
Rot. Bonds4

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

4-butyl-1,3,5-triazine-2-carboxamide (PubChem CID 118936266) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-butyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-butyl-1,3,5-triazine-2-carboxamide
PubChem CID118936266
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-butyl-1,3,5-triazine-2-carboxamide
SMILESCCCCc1ncnc(C(N)=O)n1
InChIInChI=1S/C8H12N4O/c1-2-3-4-6-10-5-11-8(12-6)7(9)13/h5H,2-4H2,1H3,(H2,9,13)
InChIKeyBUQNVNAWIQTZDP-UHFFFAOYSA-N
XLogP0.31
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726370
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 140726384
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
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
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
4-Amino-6-propyl-1,3,5-triazine-2-carboxamide
CID 90380601
4-Butyl-6-methyl-1,3,5-triazine-2-carboxamide
CID 90391478
N-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936331
4-butyl-N-methyl-1,3,5-triazine-2-carboxamide
CID 118936335
N,N-dibutyl-1,3,5-triazine-2-carboxamide
CID 118936402

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-butyl-1,3,5-triazine-2-carboxamide (CID 118936266) is 4-butyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-butyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-butyl-1,3,5-triazine-2-carboxamide is CCCCc1ncnc(C(N)=O)n1.
What is the InChIKey of 4-butyl-1,3,5-triazine-2-carboxamide?
The InChIKey is BUQNVNAWIQTZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-3-4-6-10-5-11-8(12-6)7(9)13/h5H,2-4H2,1H3,(H2,9,13).
What are the key properties of 4-butyl-1,3,5-triazine-2-carboxamide?
4-butyl-1,3,5-triazine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 118936266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).