N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine

C13H12FN5O — CID 4726884

IUPACN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-9-6-7-12(20-9)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyJOIKOIZLXQYMJS-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.22
Rot. Bonds4

About N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine (PubChem CID 4726884) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
PubChem CID4726884
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC NameN-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-9-6-7-12(20-9)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyJOIKOIZLXQYMJS-UHFFFAOYSA-N
XLogP2.22
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-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

[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447687
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 9339433
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3H-quinazolin-4-one
CID 166201526
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 7425125
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4727058
2-[2-[[(1-methyltetrazol-5-yl)amino]methyl]phenyl]acetic acid
CID 81318049
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine (CID 4726884) is N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is JOIKOIZLXQYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-9-6-7-12(20-9)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,15,16,18).
What are the key properties of N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine has a molecular weight of 273.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4726884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).