1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione

C8H12N4O2 — CID 131858088

IUPAC1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESNN=C1CC(=O)NC(=O)N1CC1CC1
InChIInChI=1S/C8H12N4O2/c9-11-6-3-7(13)10-8(14)12(6)4-5-1-2-5/h5H,1-4,9H2,(H,10,13,14)
InChIKeyKBFKYDGIIQVUEV-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.39
Rot. Bonds2

About 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione

1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione (PubChem CID 131858088) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione
PubChem CID131858088
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione
SMILESNN=C1CC(=O)NC(=O)N1CC1CC1
InChIInChI=1S/C8H12N4O2/c9-11-6-3-7(13)10-8(14)12(6)4-5-1-2-5/h5H,1-4,9H2,(H,10,13,14)
InChIKeyKBFKYDGIIQVUEV-UHFFFAOYSA-N
XLogP-0.39
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-6-imino-1,3-diazinane-2,4-dione
CID 134870171
1,3-Dibutyl-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 131857315
(Z)-1-Butyl-6-hydrazono-3-propyldihydropyrimidine-2,4(1H,3H)-dione
CID 146012962
(6E)-6-hydrazinylidene-3-methyl-1-(2-methylpropyl)-1,3-diazinane-2,4-dione
CID 172933246

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione (CID 131858088) is 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione is NN=C1CC(=O)NC(=O)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione?
The InChIKey is KBFKYDGIIQVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-11-6-3-7(13)10-8(14)12(6)4-5-1-2-5/h5H,1-4,9H2,(H,10,13,14).
What are the key properties of 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione?
1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-hydrazinylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 131858088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).