N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine

C15H17N5O — CID 62446784

IUPACN-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H17N5O/c1-2-16-9-12-8-14(21-11-12)10-20-18-15(17-19-20)13-6-4-3-5-7-13/h3-8,11,16H,2,9-10H2,1H3
InChIKeyGXAUXSDHYDXJFV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.09
Rot. Bonds6

About N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine

N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62446784) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62446784
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C15H17N5O/c1-2-16-9-12-8-14(21-11-12)10-20-18-15(17-19-20)13-6-4-3-5-7-13/h3-8,11,16H,2,9-10H2,1H3
InChIKeyGXAUXSDHYDXJFV-UHFFFAOYSA-N
XLogP2.09
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
CID 62446607
N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
CID 63943078
N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62447912
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
CID 134024131
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
N-[[6-(5-phenyltetrazol-2-yl)-2-pyridinyl]methyl]ethanamine
CID 62295000
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
1-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317665
3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
CID 43244445
N-methyl-2-[(5-phenyltetrazol-2-yl)methyl]pyridin-4-amine
CID 79251622

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine (CID 62446784) is N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is GXAUXSDHYDXJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-16-9-12-8-14(21-11-12)10-20-18-15(17-19-20)13-6-4-3-5-7-13/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62446784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).