N-(1,3,5-triazin-2-yl)formamide

C4H4N4O — CID 23335062

IUPACN-(1,3,5-triazin-2-yl)formamide
SMILESO=CNc1ncncn1
InChIInChI=1S/C4H4N4O/c9-3-8-4-6-1-5-2-7-4/h1-3H,(H,5,6,7,8,9)
InChIKeyVVIKANZDSTYOFM-UHFFFAOYSA-N
MW124.10 g/mol
LogP-0.56
Rot. Bonds2

About N-(1,3,5-triazin-2-yl)formamide

N-(1,3,5-triazin-2-yl)formamide (PubChem CID 23335062) has the molecular formula C4H4N4O and a molecular weight of 124.10 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-yl)formamide.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-yl)formamide
PubChem CID23335062
Molecular FormulaC4H4N4O
Molecular Weight124.10 g/mol
Exact Mass124.04
IUPAC NameN-(1,3,5-triazin-2-yl)formamide
SMILESO=CNc1ncncn1
InChIInChI=1S/C4H4N4O/c9-3-8-4-6-1-5-2-7-4/h1-3H,(H,5,6,7,8,9)
InChIKeyVVIKANZDSTYOFM-UHFFFAOYSA-N
XLogP-0.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3,5-triazin-2-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
Ureido-s-triazine
CID 19917709
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
Thiocarbamate s-Triazine
CID 56995632
N-sym-triazinyl-N-cyanourea
CID 129798978
Formaldehyde;1,3,5-triazin-2-amine
CID 18544388
1-Methyl-1-(1,3,5-triazin-2-yl)urea
CID 19758518
2-(Sulfinatocarbamoylamino)-1,3,5-triazine
CID 21654698
N-(4,6-diformamido-1,3,5-triazin-2-yl)formamide
CID 21693614
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde
CID 22598657
N-(4-amino-6-diazenyl-1,3,5-triazin-2-yl)formamide
CID 22648559
(4-Methoxy-1,3,5-triazin-2-yl)urea
CID 23310879

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-yl)formamide?
The IUPAC name of N-(1,3,5-triazin-2-yl)formamide (CID 23335062) is N-(1,3,5-triazin-2-yl)formamide.
What is the SMILES notation for N-(1,3,5-triazin-2-yl)formamide?
The canonical SMILES for N-(1,3,5-triazin-2-yl)formamide is O=CNc1ncncn1.
What is the InChIKey of N-(1,3,5-triazin-2-yl)formamide?
The InChIKey is VVIKANZDSTYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O/c9-3-8-4-6-1-5-2-7-4/h1-3H,(H,5,6,7,8,9).
What are the key properties of N-(1,3,5-triazin-2-yl)formamide?
N-(1,3,5-triazin-2-yl)formamide has a molecular weight of 124.10 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-triazin-2-yl)formamide is sourced from PubChem (CID 23335062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).