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

C4H11N7O3 — CID 174964625

IUPACazane;carbonic acid;1,3,5-triazine-2,4,6-triamine
SMILESN.Nc1nc(N)nc(N)n1.O=C(O)O
InChIInChI=1S/C3H6N6.CH2O3.H3N/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H3
InChIKeyBVFRTIZBXTWDHN-UHFFFAOYSA-N
MW205.18 g/mol
LogP-1.00
Rot. Bonds

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

azane;carbonic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 174964625) has the molecular formula C4H11N7O3 and a molecular weight of 205.18 g/mol. Its IUPAC name is azane;carbonic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameazane;carbonic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID174964625
Molecular FormulaC4H11N7O3
Molecular Weight205.18 g/mol
Exact Mass205.09
IUPAC Nameazane;carbonic acid;1,3,5-triazine-2,4,6-triamine
SMILESN.Nc1nc(N)nc(N)n1.O=C(O)O
InChIInChI=1S/C3H6N6.CH2O3.H3N/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H3
InChIKeyBVFRTIZBXTWDHN-UHFFFAOYSA-N
XLogP-1.00
TPSA209.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

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1,3,5-triazine-2,4,6-triamine
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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of azane;carbonic acid;1,3,5-triazine-2,4,6-triamine (CID 174964625) is azane;carbonic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for azane;carbonic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for azane;carbonic acid;1,3,5-triazine-2,4,6-triamine is N.Nc1nc(N)nc(N)n1.O=C(O)O.
What is the InChIKey of azane;carbonic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is BVFRTIZBXTWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH2O3.H3N/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;/h(H6,4,5,6,7,8,9);(H2,2,3,4);1H3.
What are the key properties of azane;carbonic acid;1,3,5-triazine-2,4,6-triamine?
azane;carbonic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 205.18 g/mol, XLogP of -1.00, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174964625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).