5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine

C16H15N5O2 — CID 7831965

IUPAC5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N/N=C\c3ccc(C)o3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-11-3-6-14(23-11)9-17-20-16-19-15(10-18-21-16)12-4-7-13(22-2)8-5-12/h3-10H,1-2H3,(H,19,20,21)/b17-9-
InChIKeyHCESILJDSFHQHC-MFOYZWKCSA-N
MW309.33 g/mol
LogP2.89
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine

5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine (PubChem CID 7831965) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine
PubChem CID7831965
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(N/N=C\c3ccc(C)o3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-11-3-6-14(23-11)9-17-20-16-19-15(10-18-21-16)12-4-7-13(22-2)8-5-12/h3-10H,1-2H3,(H,19,20,21)/b17-9-
InChIKeyHCESILJDSFHQHC-MFOYZWKCSA-N
XLogP2.89
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 26366885
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazin-3-amine
CID 11405768
4-chloro-2-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135588733
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410895
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
N-[(4-chlorophenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6790294
5-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-[1,2,4]triazino[5,6-b]indol-3-amine
CID 7514744
1-[(4-methoxyphenyl)methyl]-3-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiourea
CID 9176344
N-[[4-(diethylamino)phenyl]methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 3096776
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
5-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1,2,4-triazin-3-amine
CID 7767197
5-(4-methoxyphenyl)-1,2,4-triazine-3-carbaldehyde
CID 105468347

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine (CID 7831965) is 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(N/N=C\c3ccc(C)o3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine?
The InChIKey is HCESILJDSFHQHC-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-3-6-14(23-11)9-17-20-16-19-15(10-18-21-16)12-4-7-13(22-2)8-5-12/h3-10H,1-2H3,(H,19,20,21)/b17-9-.
What are the key properties of 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine?
5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine has a molecular weight of 309.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,2,4-triazin-3-amine is sourced from PubChem (CID 7831965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).