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

C6H8N4O — CID 140726341

IUPAC4-ethyl-1,3,5-triazine-2-carboxamide
SMILESCCc1ncnc(C(N)=O)n1
InChIInChI=1S/C6H8N4O/c1-2-4-8-3-9-6(10-4)5(7)11/h3H,2H2,1H3,(H2,7,11)
InChIKeyVMLUHTWFFRPKAW-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.47
Rot. Bonds2

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

4-ethyl-1,3,5-triazine-2-carboxamide (PubChem CID 140726341) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 4-ethyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-1,3,5-triazine-2-carboxamide
PubChem CID140726341
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name4-ethyl-1,3,5-triazine-2-carboxamide
SMILESCCc1ncnc(C(N)=O)n1
InChIInChI=1S/C6H8N4O/c1-2-4-8-3-9-6(10-4)5(7)11/h3H,2H2,1H3,(H2,7,11)
InChIKeyVMLUHTWFFRPKAW-UHFFFAOYSA-N
XLogP-0.47
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-ethyl-1,3,5-triazine-2-carboxamide (CID 140726341) is 4-ethyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-ethyl-1,3,5-triazine-2-carboxamide is CCc1ncnc(C(N)=O)n1.
What is the InChIKey of 4-ethyl-1,3,5-triazine-2-carboxamide?
The InChIKey is VMLUHTWFFRPKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-4-8-3-9-6(10-4)5(7)11/h3H,2H2,1H3,(H2,7,11).
What are the key properties of 4-ethyl-1,3,5-triazine-2-carboxamide?
4-ethyl-1,3,5-triazine-2-carboxamide has a molecular weight of 152.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 140726341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).