N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde

C5H8N6O2 — CID 22598657

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde
SMILESC=O.Nc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O.CH2O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h1H,(H5,5,6,7,8,9,10,11);1H2
InChIKeyCLVLAOKTKJVUBE-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.58
Rot. Bonds2

About N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde

N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde (PubChem CID 22598657) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde
PubChem CID22598657
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde
SMILESC=O.Nc1nc(N)nc(NC=O)n1
InChIInChI=1S/C4H6N6O.CH2O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h1H,(H5,5,6,7,8,9,10,11);1H2
InChIKeyCLVLAOKTKJVUBE-UHFFFAOYSA-N
XLogP-1.58
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde (CID 22598657) is N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde is C=O.Nc1nc(N)nc(NC=O)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde?
The InChIKey is CLVLAOKTKJVUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O.CH2O/c5-2-8-3(6)10-4(9-2)7-1-11;1-2/h1H,(H5,5,6,7,8,9,10,11);1H2.
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde?
N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde has a molecular weight of 184.16 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)formamide;formaldehyde is sourced from PubChem (CID 22598657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).