1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C15H17N5O — CID 60673289

IUPAC1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-11-8-9-14(21-11)12(2)16-10-15-17-18-19-20(15)13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyIRSAVJKHBJITSZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.41
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 60673289) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID60673289
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2nnnn2-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-11-8-9-14(21-11)12(2)16-10-15-17-18-19-20(15)13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyIRSAVJKHBJITSZ-UHFFFAOYSA-N
XLogP2.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 60673289) is 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2nnnn2-c2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is IRSAVJKHBJITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-8-9-14(21-11)12(2)16-10-15-17-18-19-20(15)13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 60673289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).