1,3,5-triazine-2-carboxamide

C4H4N4O — CID 54264822

IUPAC1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1ncncn1
InChIInChI=1S/C4H4N4O/c5-3(9)4-7-1-6-2-8-4/h1-2H,(H2,5,9)
InChIKeyRGADTVSBYVMPPB-UHFFFAOYSA-N
MW124.10 g/mol
LogP-1.03
Rot. Bonds1

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

1,3,5-triazine-2-carboxamide (PubChem CID 54264822) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is 1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name1,3,5-triazine-2-carboxamide
PubChem CID54264822
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC Name1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1ncncn1
InChIInChI=1S/C4H4N4O/c5-3(9)4-7-1-6-2-8-4/h1-2H,(H2,5,9)
InChIKeyRGADTVSBYVMPPB-UHFFFAOYSA-N
XLogP-1.03
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 910049
4-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726370
1,3,5-Triazine-2,4,6-tricarboxamide
CID 31854
1,3,5-Triazine-2-carbohydrazide
CID 21537408
4-Ethoxy-1,3,5-triazine-2-carboxamide
CID 54244492
N-methylsulfanyl-1,3,5-triazine-2-carboxamide
CID 54480967
6-(1,3,5-triazin-2-yl)-1H-1,3,5-triazin-2-one
CID 57025263
N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
CID 57221905
6-Amino-1,3,5-triazine-2,4-dicarboxamide
CID 67444323
4,6-Diamino-1,3,5-triazine-2-carboxamide
CID 67444326
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-carbamoyl-1,3,5-triazine-2-carboxamide
CID 68122432

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2-carboxamide?
The IUPAC name of 1,3,5-triazine-2-carboxamide (CID 54264822) is 1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 1,3,5-triazine-2-carboxamide?
The canonical SMILES for 1,3,5-triazine-2-carboxamide is NC(=O)c1ncncn1.
What is the InChIKey of 1,3,5-triazine-2-carboxamide?
The InChIKey is RGADTVSBYVMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c5-3(9)4-7-1-6-2-8-4/h1-2H,(H2,5,9).
What are the key properties of 1,3,5-triazine-2-carboxamide?
1,3,5-triazine-2-carboxamide has a molecular weight of 124.10 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 54264822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).