N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine

C18H14ClN5O — CID 9339433

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
SMILESClc1ccc(-c2ccc(CNc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C18H14ClN5O/c19-14-8-6-13(7-9-14)17-11-10-16(25-17)12-20-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21,23)
InChIKeyLTFZMZQFZOEEJD-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.19
Rot. Bonds5

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 9339433) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
PubChem CID9339433
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine
SMILESClc1ccc(-c2ccc(CNc3nnnn3-c3ccccc3)o2)cc1
InChIInChI=1S/C18H14ClN5O/c19-14-8-6-13(7-9-14)17-11-10-16(25-17)12-20-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21,23)
InChIKeyLTFZMZQFZOEEJD-UHFFFAOYSA-N
XLogP4.19
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-phenylfuran-2-yl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17060084
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylaniline
CID 91674302
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17123316
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
CID 91674310
4-[5-[[(1-propyltetrazol-5-yl)amino]methyl]furan-2-yl]benzoic acid
CID 17057729
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]tetrazol-5-amine
CID 133379973
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
(1S)-1-[4-[5-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639555
1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
CID 133449188
methyl 4-[5-[[3-(1-phenyltetrazol-5-yl)sulfanylpropylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17333417

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine (CID 9339433) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine is Clc1ccc(-c2ccc(CNc3nnnn3-c3ccccc3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is LTFZMZQFZOEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-14-8-6-13(7-9-14)17-11-10-16(25-17)12-20-18-21-22-23-24(18)15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21,23).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 351.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9339433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).