(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one

C9H11N5O — CID 137265633

IUPAC(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\N=C1CCCC1
InChIInChI=1S/C9H11N5O/c1-6-8(10-9(15)14-11-6)13-12-7-4-2-3-5-7/h1-5H2,(H,10,13,15)
InChIKeyYNUASUWYRHFSGP-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.00
Rot. Bonds1

About (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one

(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137265633) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one
PubChem CID137265633
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\N=C1CCCC1
InChIInChI=1S/C9H11N5O/c1-6-8(10-9(15)14-11-6)13-12-7-4-2-3-5-7/h1-5H2,(H,10,13,15)
InChIKeyYNUASUWYRHFSGP-UHFFFAOYSA-N
XLogP2.00
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one (CID 137265633) is (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N\N=C1CCCC1.
What is the InChIKey of (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is YNUASUWYRHFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-6-8(10-9(15)14-11-6)13-12-7-4-2-3-5-7/h1-5H2,(H,10,13,15).
What are the key properties of (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one?
(5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 205.22 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(cyclopentylidenehydrazinylidene)-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).