propane-1,2,3-triol;urea;hydrate

C4H14N2O5 — CID 174420698

IUPACpropane-1,2,3-triol;urea;hydrate
SMILESNC(N)=O.O.OCC(O)CO
InChIInChI=1S/C3H8O3.CH4N2O.H2O/c4-1-3(6)2-5;2-1(3)4;/h3-6H,1-2H2;(H4,2,3,4);1H2
InChIKeyYIDJXXNDHTWOKG-UHFFFAOYSA-N
MW170.17 g/mol
LogP-3.47
Rot. Bonds2

About propane-1,2,3-triol;urea;hydrate

propane-1,2,3-triol;urea;hydrate (PubChem CID 174420698) has the molecular formula C4H14N2O5 and a molecular weight of 170.17 g/mol. Its IUPAC name is propane-1,2,3-triol;urea;hydrate.

Molecular Properties

Compound Namepropane-1,2,3-triol;urea;hydrate
PubChem CID174420698
Molecular FormulaC4H14N2O5
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Namepropane-1,2,3-triol;urea;hydrate
SMILESNC(N)=O.O.OCC(O)CO
InChIInChI=1S/C3H8O3.CH4N2O.H2O/c4-1-3(6)2-5;2-1(3)4;/h3-6H,1-2H2;(H4,2,3,4);1H2
InChIKeyYIDJXXNDHTWOKG-UHFFFAOYSA-N
XLogP-3.47
TPSA161.30 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-3.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

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bis(propane-1,2,3-triol);titanium;hydrate
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molybdenum;propane-1,2,3-triol;hydrate
CID 172843449
trihydroxy(hydroxymethyl)phosphanium;urea;chloride
CID 118387771
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073
guanidine;propane-1,2,3-triol;sulfamic acid
CID 175577098
(4R)-4,5-dihydroxypentanamide
CID 140573063
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CID 141178909

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;urea;hydrate?
The IUPAC name of propane-1,2,3-triol;urea;hydrate (CID 174420698) is propane-1,2,3-triol;urea;hydrate.
What is the SMILES notation for propane-1,2,3-triol;urea;hydrate?
The canonical SMILES for propane-1,2,3-triol;urea;hydrate is NC(N)=O.O.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;urea;hydrate?
The InChIKey is YIDJXXNDHTWOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.CH4N2O.H2O/c4-1-3(6)2-5;2-1(3)4;/h3-6H,1-2H2;(H4,2,3,4);1H2.
What are the key properties of propane-1,2,3-triol;urea;hydrate?
propane-1,2,3-triol;urea;hydrate has a molecular weight of 170.17 g/mol, XLogP of -3.47, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;urea;hydrate is sourced from PubChem (CID 174420698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).