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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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).