(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one

C12H13N5O — CID 176524176

IUPAC(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
SMILESC/N=C/C(=C\N)c1ccc(/C(C=C=O)=N\N)nc1
InChIInChI=1S/C12H13N5O/c1-15-7-10(6-13)9-2-3-11(16-8-9)12(17-14)4-5-18/h2-4,6-8H,13-14H2,1H3/b10-6+,15-7+,17-12-
InChIKeyVZBKAIFKBQMARV-IOKSVMTPSA-N
MW243.27 g/mol
LogP0.13
Rot. Bonds4

About (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one

(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one (PubChem CID 176524176) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one.

Molecular Properties

Compound Name(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
PubChem CID176524176
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
SMILESC/N=C/C(=C\N)c1ccc(/C(C=C=O)=N\N)nc1
InChIInChI=1S/C12H13N5O/c1-15-7-10(6-13)9-2-3-11(16-8-9)12(17-14)4-5-18/h2-4,6-8H,13-14H2,1H3/b10-6+,15-7+,17-12-
InChIKeyVZBKAIFKBQMARV-IOKSVMTPSA-N
XLogP0.13
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one?
The IUPAC name of (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one (CID 176524176) is (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one.
What is the SMILES notation for (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one?
The canonical SMILES for (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one is C/N=C/C(=C\N)c1ccc(/C(C=C=O)=N\N)nc1.
What is the InChIKey of (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one?
The InChIKey is VZBKAIFKBQMARV-IOKSVMTPSA-N. The full InChI is InChI=1S/C12H13N5O/c1-15-7-10(6-13)9-2-3-11(16-8-9)12(17-14)4-5-18/h2-4,6-8H,13-14H2,1H3/b10-6+,15-7+,17-12-.
What are the key properties of (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one?
(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one has a molecular weight of 243.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one is sourced from PubChem (CID 176524176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).