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

C5H6N4O — CID 67979738

IUPACN-methyl-1,3,5-triazine-2-carboxamide
SMILESCNC(=O)c1ncncn1
InChIInChI=1S/C5H6N4O/c1-6-5(10)4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10)
InChIKeyQFFAFSVBMFBAHA-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.77
Rot. Bonds1

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

N-methyl-1,3,5-triazine-2-carboxamide (PubChem CID 67979738) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is N-methyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3,5-triazine-2-carboxamide
PubChem CID67979738
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC NameN-methyl-1,3,5-triazine-2-carboxamide
SMILESCNC(=O)c1ncncn1
InChIInChI=1S/C5H6N4O/c1-6-5(10)4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10)
InChIKeyQFFAFSVBMFBAHA-UHFFFAOYSA-N
XLogP-0.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxamide
CID 597626
2-Carbamoyl-sym-triazine
CID 54264822
N,4-dimethyl-6-(methylamino)-1,3,5-triazine-2-carboxamide
CID 76316488
N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726375
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 35554
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
4-Ethoxy-1,3,5-triazine-2-carboxamide
CID 54244492
N-butyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 54374561
N-methylsulfanyl-1,3,5-triazine-2-carboxamide
CID 54480967
N,N-bis(sulfanyl)-1,3,5-triazine-2-carboxamide
CID 57221905
N-butyl-1,3,5-triazine-2-carboxamide
CID 67685815

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-methyl-1,3,5-triazine-2-carboxamide (CID 67979738) is N-methyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-methyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-methyl-1,3,5-triazine-2-carboxamide is CNC(=O)c1ncncn1.
What is the InChIKey of N-methyl-1,3,5-triazine-2-carboxamide?
The InChIKey is QFFAFSVBMFBAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c1-6-5(10)4-8-2-7-3-9-4/h2-3H,1H3,(H,6,10).
What are the key properties of N-methyl-1,3,5-triazine-2-carboxamide?
N-methyl-1,3,5-triazine-2-carboxamide has a molecular weight of 138.13 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 67979738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).