N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine

C16H19N5O — CID 71891162

IUPACN-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H19N5O/c1-12-5-8-14(9-6-12)21-16(18-19-20-21)17-13(2)7-10-15-4-3-11-22-15/h3-6,8-9,11,13H,7,10H2,1-2H3,(H,17,18,20)
InChIKeyTUYNBNGSYKEACD-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine

N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine (PubChem CID 71891162) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine
PubChem CID71891162
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NC(C)CCc2ccco2)cc1
InChIInChI=1S/C16H19N5O/c1-12-5-8-14(9-6-12)21-16(18-19-20-21)17-13(2)7-10-15-4-3-11-22-15/h3-6,8-9,11,13H,7,10H2,1-2H3,(H,17,18,20)
InChIKeyTUYNBNGSYKEACD-UHFFFAOYSA-N
XLogP3.00
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine (CID 71891162) is N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine is Cc1ccc(-n2nnnc2NC(C)CCc2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine?
The InChIKey is TUYNBNGSYKEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-5-8-14(9-6-12)21-16(18-19-20-21)17-13(2)7-10-15-4-3-11-22-15/h3-6,8-9,11,13H,7,10H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine?
N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine has a molecular weight of 297.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-1-(4-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 71891162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).