azane;urea

C2H11N5O2 — CID 158949980

IUPACazane;urea
SMILESN.NC(N)=O.NC(N)=O
InChIInChI=1S/2CH4N2O.H3N/c2*2-1(3)4;/h2*(H4,2,3,4);1H3
InChIKeyJLHLQHUPUYUQIL-UHFFFAOYSA-N
MW137.14 g/mol
LogP-1.79
Rot. Bonds

About azane;urea

azane;urea (PubChem CID 158949980) has the molecular formula C2H11N5O2 and a molecular weight of 137.14 g/mol. Its IUPAC name is azane;urea.

Molecular Properties

Compound Nameazane;urea
PubChem CID158949980
Molecular FormulaC2H11N5O2
Molecular Weight137.14 g/mol
Exact Mass137.09
IUPAC Nameazane;urea
SMILESN.NC(N)=O.NC(N)=O
InChIInChI=1S/2CH4N2O.H3N/c2*2-1(3)4;/h2*(H4,2,3,4);1H3
InChIKeyJLHLQHUPUYUQIL-UHFFFAOYSA-N
XLogP-1.79
TPSA173.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;urea?
The IUPAC name of azane;urea (CID 158949980) is azane;urea.
What is the SMILES notation for azane;urea?
The canonical SMILES for azane;urea is N.NC(N)=O.NC(N)=O.
What is the InChIKey of azane;urea?
The InChIKey is JLHLQHUPUYUQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4N2O.H3N/c2*2-1(3)4;/h2*(H4,2,3,4);1H3.
What are the key properties of azane;urea?
azane;urea has a molecular weight of 137.14 g/mol, XLogP of -1.79, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;urea is sourced from PubChem (CID 158949980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).