3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C18H15N7O2 — CID 135820843

IUPAC3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccco2)[nH]c1=O
InChIInChI=1S/C18H15N7O2/c1-12-17(26)20-18(23-21-12)22-19-10-13-11-25(14-6-3-2-4-7-14)24-16(13)15-8-5-9-27-15/h2-11H,1H3,(H2,20,22,23,26)/b19-10-
InChIKeyIYEKDEIEJQLDNM-GRSHGNNSSA-N
MW361.37 g/mol
LogP2.37
Rot. Bonds5

About 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135820843) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135820843
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccco2)[nH]c1=O
InChIInChI=1S/C18H15N7O2/c1-12-17(26)20-18(23-21-12)22-19-10-13-11-25(14-6-3-2-4-7-14)24-16(13)15-8-5-9-27-15/h2-11H,1H3,(H2,20,22,23,26)/b19-10-
InChIKeyIYEKDEIEJQLDNM-GRSHGNNSSA-N
XLogP2.37
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9023528
3-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135537340
3-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135454378
3-[(2Z)-2-[(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784809
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 5455968
4-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 8979507
6-methyl-3-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135496913
3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031962
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974950
6-methyl-3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135847861
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135399287

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135820843) is 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccco2)[nH]c1=O.
What is the InChIKey of 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is IYEKDEIEJQLDNM-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-12-17(26)20-18(23-21-12)22-19-10-13-11-25(14-6-3-2-4-7-14)24-16(13)15-8-5-9-27-15/h2-11H,1H3,(H2,20,22,23,26)/b19-10-.
What are the key properties of 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 361.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135820843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).