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

C5H6N4O — CID 87925039

IUPACN-(1,3,5-triazin-2-ylmethyl)formamide
SMILESO=CNCc1ncncn1
InChIInChI=1S/C5H6N4O/c10-4-6-1-5-8-2-7-3-9-5/h2-4H,1H2,(H,6,10)
InChIKeyNTQLYDISGZWMCG-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.88
Rot. Bonds3

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

N-(1,3,5-triazin-2-ylmethyl)formamide (PubChem CID 87925039) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is N-(1,3,5-triazin-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-(1,3,5-triazin-2-ylmethyl)formamide
PubChem CID87925039
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC NameN-(1,3,5-triazin-2-ylmethyl)formamide
SMILESO=CNCc1ncncn1
InChIInChI=1S/C5H6N4O/c10-4-6-1-5-8-2-7-3-9-5/h2-4H,1H2,(H,6,10)
InChIKeyNTQLYDISGZWMCG-UHFFFAOYSA-N
XLogP-0.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-triazin-2-ylmethyl)formamide?
The IUPAC name of N-(1,3,5-triazin-2-ylmethyl)formamide (CID 87925039) is N-(1,3,5-triazin-2-ylmethyl)formamide.
What is the SMILES notation for N-(1,3,5-triazin-2-ylmethyl)formamide?
The canonical SMILES for N-(1,3,5-triazin-2-ylmethyl)formamide is O=CNCc1ncncn1.
What is the InChIKey of N-(1,3,5-triazin-2-ylmethyl)formamide?
The InChIKey is NTQLYDISGZWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c10-4-6-1-5-8-2-7-3-9-5/h2-4H,1H2,(H,6,10).
What are the key properties of N-(1,3,5-triazin-2-ylmethyl)formamide?
N-(1,3,5-triazin-2-ylmethyl)formamide has a molecular weight of 138.13 g/mol, XLogP of -0.88, 3 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-ylmethyl)formamide is sourced from PubChem (CID 87925039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).