N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine

C15H17N5O — CID 62447912

IUPACN-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1cc(Cn2nnc(-c3ccccc3)n2)c(C)o1
InChIInChI=1S/C15H17N5O/c1-11-13(8-14(21-11)9-16-2)10-20-18-15(17-19-20)12-6-4-3-5-7-12/h3-8,16H,9-10H2,1-2H3
InChIKeyPPFMKSTUEFXZDE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (PubChem CID 62447912) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
PubChem CID62447912
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
SMILESCNCc1cc(Cn2nnc(-c3ccccc3)n2)c(C)o1
InChIInChI=1S/C15H17N5O/c1-11-13(8-14(21-11)9-16-2)10-20-18-15(17-19-20)12-6-4-3-5-7-12/h3-8,16H,9-10H2,1-2H3
InChIKeyPPFMKSTUEFXZDE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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
[3-methyl-5-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62449218
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
N-[[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62446784
N-methyl-2-[(5-phenyltetrazol-2-yl)methyl]pyridin-4-amine
CID 79251622
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
5-[(5-phenyltetrazol-2-yl)methyl]thiophen-2-amine
CID 124530595
[3-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine
CID 62448659
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
3-[(5-phenyltetrazol-2-yl)methyl]furan-2-carboxylic acid
CID 43244445
2-chloro-3-[(5-phenyltetrazol-2-yl)methyl]quinoline
CID 7594689
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine (CID 62447912) is N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is CNCc1cc(Cn2nnc(-c3ccccc3)n2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
The InChIKey is PPFMKSTUEFXZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-13(8-14(21-11)9-16-2)10-20-18-15(17-19-20)12-6-4-3-5-7-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-[(5-phenyltetrazol-2-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).