N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine

C13H12FN5O — CID 4726898

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-11-6-7-12(20-11)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyVXUJLMPXBJIODC-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.22
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine (PubChem CID 4726898) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
PubChem CID4726898
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-11-6-7-12(20-11)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18)
InChIKeyVXUJLMPXBJIODC-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

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948735
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947662
7-(Furan-2-yl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 662309
N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-2-methyl-2H-tetrazol-5-amine
CID 18778291
1-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]tetrazole-1,5-diamine
CID 2996479
benzo[d]furan-2-yl-N-(1-methyl(1,2,3,4-tetraazol-5-yl))carboxamide
CID 925605
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-propyl-2H-tetrazol-5-amine
CID 18778282
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-methyl-2H-tetrazol-5-amine
CID 18778298
N-{[5-(4-bromophenyl)furan-2-yl]methyl}-2-ethyl-2H-tetrazol-5-amine
CID 18778319
1-[1-Benzofuran-2-yl-(4-fluorophenyl)methyl]tetrazole
CID 100984767
2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-N-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methyl)ethanamine
CID 17155039

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine (CID 4726898) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
The InChIKey is VXUJLMPXBJIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-19-13(16-17-18-19)15-8-11-6-7-12(20-11)9-2-4-10(14)5-3-9/h2-7H,8H2,1H3,(H,15,16,18).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine?
N-[[5-(4-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-(4-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).