acetonitrile;azane;carbonic acid;methanol

C4H15N3O4 — CID 174612682

IUPACacetonitrile;azane;carbonic acid;methanol
SMILESCC#N.CO.N.N.O=C(O)O
InChIInChI=1S/C2H3N.CH2O3.CH4O.2H3N/c1-2-3;2-1(3)4;1-2;;/h1H3;(H2,2,3,4);2H,1H3;2*1H3
InChIKeyNOWGJZRNVLQFOT-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.68
Rot. Bonds

About acetonitrile;azane;carbonic acid;methanol

acetonitrile;azane;carbonic acid;methanol (PubChem CID 174612682) has the molecular formula C4H15N3O4 and a molecular weight of 169.18 g/mol. Its IUPAC name is acetonitrile;azane;carbonic acid;methanol.

Molecular Properties

Compound Nameacetonitrile;azane;carbonic acid;methanol
PubChem CID174612682
Molecular FormulaC4H15N3O4
Molecular Weight169.18 g/mol
Exact Mass169.11
IUPAC Nameacetonitrile;azane;carbonic acid;methanol
SMILESCC#N.CO.N.N.O=C(O)O
InChIInChI=1S/C2H3N.CH2O3.CH4O.2H3N/c1-2-3;2-1(3)4;1-2;;/h1H3;(H2,2,3,4);2H,1H3;2*1H3
InChIKeyNOWGJZRNVLQFOT-UHFFFAOYSA-N
XLogP0.68
TPSA171.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;azane;carbonic acid;methanol?
The IUPAC name of acetonitrile;azane;carbonic acid;methanol (CID 174612682) is acetonitrile;azane;carbonic acid;methanol.
What is the SMILES notation for acetonitrile;azane;carbonic acid;methanol?
The canonical SMILES for acetonitrile;azane;carbonic acid;methanol is CC#N.CO.N.N.O=C(O)O.
What is the InChIKey of acetonitrile;azane;carbonic acid;methanol?
The InChIKey is NOWGJZRNVLQFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.CH2O3.CH4O.2H3N/c1-2-3;2-1(3)4;1-2;;/h1H3;(H2,2,3,4);2H,1H3;2*1H3.
What are the key properties of acetonitrile;azane;carbonic acid;methanol?
acetonitrile;azane;carbonic acid;methanol has a molecular weight of 169.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;azane;carbonic acid;methanol is sourced from PubChem (CID 174612682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).