3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C14H18N6O — CID 135891519

IUPAC3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)c1ccc(/C=N\Nc2nncc(=O)[nH]2)cc1
InChIInChI=1S/C14H18N6O/c1-3-20(4-2)12-7-5-11(6-8-12)9-15-18-14-17-13(21)10-16-19-14/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21)/b15-9-
InChIKeyPGZIMDCPRCSFFY-DHDCSXOGSA-N
MW286.34 g/mol
LogP1.46
Rot. Bonds6

About 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135891519) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135891519
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)c1ccc(/C=N\Nc2nncc(=O)[nH]2)cc1
InChIInChI=1S/C14H18N6O/c1-3-20(4-2)12-7-5-11(6-8-12)9-15-18-14-17-13(21)10-16-19-14/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21)/b15-9-
InChIKeyPGZIMDCPRCSFFY-DHDCSXOGSA-N
XLogP1.46
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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

3-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454370
3-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454364
3-[(2Z)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135958941
3-[(2E)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788960
3-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454365
3-[(2E)-2-[(3-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733570
3-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136859969
3-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788957
3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
CID 136779233
3-[(2E)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733216
3-[(2E)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733238
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135891519) is 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CCN(CC)c1ccc(/C=N\Nc2nncc(=O)[nH]2)cc1.
What is the InChIKey of 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is PGZIMDCPRCSFFY-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-20(4-2)12-7-5-11(6-8-12)9-15-18-14-17-13(21)10-16-19-14/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21)/b15-9-.
What are the key properties of 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 286.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135891519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).