N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide

C12H15N5O3 — CID 2788862

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)NN=CC1CC=CCC1
InChIInChI=1S/C12H15N5O3/c18-10(6-9-11(19)14-12(20)17-15-9)16-13-7-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,16,18)(H2,14,17,19,20)
InChIKeyOZJLAATUSFERIE-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.54
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide

N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide (PubChem CID 2788862) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
PubChem CID2788862
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]c1=O)NN=CC1CC=CCC1
InChIInChI=1S/C12H15N5O3/c18-10(6-9-11(19)14-12(20)17-15-9)16-13-7-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,16,18)(H2,14,17,19,20)
InChIKeyOZJLAATUSFERIE-UHFFFAOYSA-N
XLogP-0.54
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide (CID 2788862) is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide is O=C(Cc1n[nH]c(=O)[nH]c1=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide?
The InChIKey is OZJLAATUSFERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c18-10(6-9-11(19)14-12(20)17-15-9)16-13-7-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,16,18)(H2,14,17,19,20).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide is sourced from PubChem (CID 2788862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).