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

C16H18BrN5O — CID 17057739

IUPACN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C16H18BrN5O/c1-3-8-22-16(19-20-21-22)18-10-13-5-7-15(23-13)14-6-4-12(17)9-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,21)
InChIKeyGDCSOKVAUCDGJO-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.03
Rot. Bonds6

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

N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine (PubChem CID 17057739) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
PubChem CID17057739
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C16H18BrN5O/c1-3-8-22-16(19-20-21-22)18-10-13-5-7-15(23-13)14-6-4-12(17)9-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,21)
InChIKeyGDCSOKVAUCDGJO-UHFFFAOYSA-N
XLogP4.03
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.03
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-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine (CID 17057739) is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(-c2ccc(Br)cc2C)o1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
The InChIKey is GDCSOKVAUCDGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-3-8-22-16(19-20-21-22)18-10-13-5-7-15(23-13)14-6-4-12(17)9-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine?
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine has a molecular weight of 376.26 g/mol, XLogP of 4.03, 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-methylphenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 17057739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).