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

C5H12N8O4 — CID 139451720

IUPACcarbamic acid;1,3,5-triazine-2,4,6-triamine
SMILESNC(=O)O.NC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.2CH3NO2/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);2*2H2,(H,3,4)
InChIKeyNXWJWBIIRQIWEX-UHFFFAOYSA-N
MW248.20 g/mol
LogP-2.14
Rot. Bonds

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

carbamic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 139451720) has the molecular formula C5H12N8O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is carbamic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namecarbamic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID139451720
Molecular FormulaC5H12N8O4
Molecular Weight248.20 g/mol
Exact Mass248.10
IUPAC Namecarbamic acid;1,3,5-triazine-2,4,6-triamine
SMILESNC(=O)O.NC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.2CH3NO2/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);2*2H2,(H,3,4)
InChIKeyNXWJWBIIRQIWEX-UHFFFAOYSA-N
XLogP-2.14
TPSA243.37 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.20
LogP ≤ 5-2.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of carbamic acid;1,3,5-triazine-2,4,6-triamine (CID 139451720) is carbamic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for carbamic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for carbamic acid;1,3,5-triazine-2,4,6-triamine is NC(=O)O.NC(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of carbamic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is NXWJWBIIRQIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.2CH3NO2/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);2*2H2,(H,3,4).
What are the key properties of carbamic acid;1,3,5-triazine-2,4,6-triamine?
carbamic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 248.20 g/mol, XLogP of -2.14, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 139451720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).