(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride

C4H10ClN3O2 — CID 5458410

IUPAC(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride
SMILESNC(=O)CC([NH3+])C(N)=O.[Cl-]
InChIInChI=1S/C4H9N3O2.ClH/c5-2(4(7)9)1-3(6)8;/h2H,1,5H2,(H2,6,8)(H2,7,9);1H
InChIKeySLBULRLSTNDQED-UHFFFAOYSA-N
MW167.60 g/mol
LogP-6.04
Rot. Bonds3

About (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride

(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride (PubChem CID 5458410) has the molecular formula C4H10ClN3O2 and a molecular weight of 167.60 g/mol. Its IUPAC name is (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride
PubChem CID5458410
Molecular FormulaC4H10ClN3O2
Molecular Weight167.60 g/mol
Exact Mass167.05
IUPAC Name(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride
SMILESNC(=O)CC([NH3+])C(N)=O.[Cl-]
InChIInChI=1S/C4H9N3O2.ClH/c5-2(4(7)9)1-3(6)8;/h2H,1,5H2,(H2,6,8)(H2,7,9);1H
InChIKeySLBULRLSTNDQED-UHFFFAOYSA-N
XLogP-6.04
TPSA113.82 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 5-6.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride?
The IUPAC name of (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride (CID 5458410) is (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride.
What is the SMILES notation for (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride?
The canonical SMILES for (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride is NC(=O)CC([NH3+])C(N)=O.[Cl-].
What is the InChIKey of (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride?
The InChIKey is SLBULRLSTNDQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2.ClH/c5-2(4(7)9)1-3(6)8;/h2H,1,5H2,(H2,6,8)(H2,7,9);1H.
What are the key properties of (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride?
(1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride has a molecular weight of 167.60 g/mol, XLogP of -6.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-diamino-1,4-dioxobutan-2-yl)azanium chloride is sourced from PubChem (CID 5458410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).