formaldehyde;triazin-4-amine

C4H6N4O — CID 19877061

IUPACformaldehyde;triazin-4-amine
SMILESC=O.Nc1ccnnn1
InChIInChI=1S/C3H4N4.CH2O/c4-3-1-2-5-7-6-3;1-2/h1-2H,(H2,4,5,6);1H2
InChIKeySAESCDGAKWEZRD-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.73
Rot. Bonds

About formaldehyde;triazin-4-amine

formaldehyde;triazin-4-amine (PubChem CID 19877061) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is formaldehyde;triazin-4-amine.

Molecular Properties

Compound Nameformaldehyde;triazin-4-amine
PubChem CID19877061
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Nameformaldehyde;triazin-4-amine
SMILESC=O.Nc1ccnnn1
InChIInChI=1S/C3H4N4.CH2O/c4-3-1-2-5-7-6-3;1-2/h1-2H,(H2,4,5,6);1H2
InChIKeySAESCDGAKWEZRD-UHFFFAOYSA-N
XLogP-0.73
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;triazin-4-amine?
The IUPAC name of formaldehyde;triazin-4-amine (CID 19877061) is formaldehyde;triazin-4-amine.
What is the SMILES notation for formaldehyde;triazin-4-amine?
The canonical SMILES for formaldehyde;triazin-4-amine is C=O.Nc1ccnnn1.
What is the InChIKey of formaldehyde;triazin-4-amine?
The InChIKey is SAESCDGAKWEZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4.CH2O/c4-3-1-2-5-7-6-3;1-2/h1-2H,(H2,4,5,6);1H2.
What are the key properties of formaldehyde;triazin-4-amine?
formaldehyde;triazin-4-amine has a molecular weight of 126.12 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;triazin-4-amine is sourced from PubChem (CID 19877061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).