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

C15H15BrClN5O — CID 17057733

IUPACN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C15H15BrClN5O/c1-2-7-22-15(19-20-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h3-6,8H,2,7,9H2,1H3,(H,18,19,21)
InChIKeyMKIYWIUJVRGFHV-UHFFFAOYSA-N
MW396.68 g/mol
LogP4.37
Rot. Bonds6

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

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine (PubChem CID 17057733) has the molecular formula C15H15BrClN5O and a molecular weight of 396.68 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
PubChem CID17057733
Molecular FormulaC15H15BrClN5O
Molecular Weight396.68 g/mol
Exact Mass395.01
IUPAC NameN-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C15H15BrClN5O/c1-2-7-22-15(19-20-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h3-6,8H,2,7,9H2,1H3,(H,18,19,21)
InChIKeyMKIYWIUJVRGFHV-UHFFFAOYSA-N
XLogP4.37
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine (CID 17057733) is N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is MKIYWIUJVRGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN5O/c1-2-7-22-15(19-20-21-22)18-9-11-4-6-14(23-11)12-5-3-10(16)8-13(12)17/h3-6,8H,2,7,9H2,1H3,(H,18,19,21).
What are the key properties of N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 396.68 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 17057733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).