1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine

C9H7F3N6 — CID 5409747

IUPAC1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N6/c10-9(11,12)7-3-1-6(2-4-7)5-14-18-8(13)15-16-17-18/h1-5H,(H2,13,15,17)/b14-5-
InChIKeyFCRZFINWKPQSHV-RZNTYIFUSA-N
MW256.19 g/mol
LogP1.16
Rot. Bonds2

About 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine

1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine (PubChem CID 5409747) has the molecular formula C9H7F3N6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
PubChem CID5409747
Molecular FormulaC9H7F3N6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N6/c10-9(11,12)7-3-1-6(2-4-7)5-14-18-8(13)15-16-17-18/h1-5H,(H2,13,15,17)/b14-5-
InChIKeyFCRZFINWKPQSHV-RZNTYIFUSA-N
XLogP1.16
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine 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

1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
CID 5340519
1-[(4-propan-2-ylphenyl)methylideneamino]tetrazol-5-amine
CID 936720
4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2,6-dibromophenol
CID 135765559
1-[(5-methylfuran-2-yl)methylideneamino]tetrazol-5-amine
CID 662413
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
CID 662960
N-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]methanimine
CID 175162135
1-(naphthalen-1-ylmethylideneamino)tetrazol-5-amine
CID 3517889
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
1-[(E)-[4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 5346839
1-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
CID 962360
1-[[4-(diethylamino)-3-nitrophenyl]methylideneamino]tetrazol-5-amine
CID 4116677
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
CID 135537509

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine (CID 5409747) is 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is FCRZFINWKPQSHV-RZNTYIFUSA-N. The full InChI is InChI=1S/C9H7F3N6/c10-9(11,12)7-3-1-6(2-4-7)5-14-18-8(13)15-16-17-18/h1-5H,(H2,13,15,17)/b14-5-.
What are the key properties of 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine?
1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine has a molecular weight of 256.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5409747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).