6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one

C7H10N4O2 — CID 3729838

IUPAC6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one
SMILESCCNc1cc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C7H10N4O2/c1-2-9-4-3-5(8)10-7(12)6(4)11-13/h3H,2H2,1H3,(H4,8,9,10,12)
InChIKeyJACRUCVSOSUTIR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.79
Rot. Bonds3

About 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one

6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one (PubChem CID 3729838) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one
PubChem CID3729838
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one
SMILESCCNc1cc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C7H10N4O2/c1-2-9-4-3-5(8)10-7(12)6(4)11-13/h3H,2H2,1H3,(H4,8,9,10,12)
InChIKeyJACRUCVSOSUTIR-UHFFFAOYSA-N
XLogP0.79
TPSA100.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one?
The IUPAC name of 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one (CID 3729838) is 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one?
The canonical SMILES for 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one is CCNc1cc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one?
The InChIKey is JACRUCVSOSUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-9-4-3-5(8)10-7(12)6(4)11-13/h3H,2H2,1H3,(H4,8,9,10,12).
What are the key properties of 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one?
6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one has a molecular weight of 182.18 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one is sourced from PubChem (CID 3729838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).