(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one

C10H13N5O — CID 59122712

IUPAC(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1/C(=C/C)C(=O)N(C)C(=C)N1CN=[N+]=[N-]
InChIInChI=1S/C10H13N5O/c1-5-9-7(2)15(6-12-13-11)8(3)14(4)10(9)16/h5H,2-3,6H2,1,4H3/b9-5-
InChIKeyMKWXYRGJVATOHT-UITAMQMPSA-N
MW219.25 g/mol
LogP1.96
Rot. Bonds2

About (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one

(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one (PubChem CID 59122712) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one
PubChem CID59122712
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1/C(=C/C)C(=O)N(C)C(=C)N1CN=[N+]=[N-]
InChIInChI=1S/C10H13N5O/c1-5-9-7(2)15(6-12-13-11)8(3)14(4)10(9)16/h5H,2-3,6H2,1,4H3/b9-5-
InChIKeyMKWXYRGJVATOHT-UITAMQMPSA-N
XLogP1.96
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one?
The IUPAC name of (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one (CID 59122712) is (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one.
What is the SMILES notation for (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one?
The canonical SMILES for (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one is C=C1/C(=C/C)C(=O)N(C)C(=C)N1CN=[N+]=[N-].
What is the InChIKey of (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one?
The InChIKey is MKWXYRGJVATOHT-UITAMQMPSA-N. The full InChI is InChI=1S/C10H13N5O/c1-5-9-7(2)15(6-12-13-11)8(3)14(4)10(9)16/h5H,2-3,6H2,1,4H3/b9-5-.
What are the key properties of (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one?
(5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one has a molecular weight of 219.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-(azidomethyl)-5-ethylidene-3-methyl-2,6-dimethylidene-1,3-diazinan-4-one is sourced from PubChem (CID 59122712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).