azane;formaldehyde;1,3,5-triazine-2,4,6-triamine

C4H11N7O — CID 18398511

IUPACazane;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.N.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH2O.H3N/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H3
InChIKeyREBCRKXJUVFSGN-UHFFFAOYSA-N
MW173.18 g/mol
LogP-1.40
Rot. Bonds

About azane;formaldehyde;1,3,5-triazine-2,4,6-triamine

azane;formaldehyde;1,3,5-triazine-2,4,6-triamine (PubChem CID 18398511) has the molecular formula C4H11N7O and a molecular weight of 173.18 g/mol. Its IUPAC name is azane;formaldehyde;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameazane;formaldehyde;1,3,5-triazine-2,4,6-triamine
PubChem CID18398511
Molecular FormulaC4H11N7O
Molecular Weight173.18 g/mol
Exact Mass173.10
IUPAC Nameazane;formaldehyde;1,3,5-triazine-2,4,6-triamine
SMILESC=O.N.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.CH2O.H3N/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H3
InChIKeyREBCRKXJUVFSGN-UHFFFAOYSA-N
XLogP-1.40
TPSA168.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of azane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of azane;formaldehyde;1,3,5-triazine-2,4,6-triamine (CID 18398511) is azane;formaldehyde;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for azane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for azane;formaldehyde;1,3,5-triazine-2,4,6-triamine is C=O.N.Nc1nc(N)nc(N)n1.
What is the InChIKey of azane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
The InChIKey is REBCRKXJUVFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH2O.H3N/c4-1-7-2(5)9-3(6)8-1;1-2;/h(H6,4,5,6,7,8,9);1H2;1H3.
What are the key properties of azane;formaldehyde;1,3,5-triazine-2,4,6-triamine?
azane;formaldehyde;1,3,5-triazine-2,4,6-triamine has a molecular weight of 173.18 g/mol, XLogP of -1.40, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formaldehyde;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18398511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).