N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine

C14H15N5O — CID 62446607

IUPACN-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1coc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H15N5O/c1-15-8-11-7-13(20-10-11)9-19-17-14(16-18-19)12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3
InChIKeyGVDPATWVNCDGCI-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine

N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine (PubChem CID 62446607) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
PubChem CID62446607
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine
SMILESCNCc1coc(Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H15N5O/c1-15-8-11-7-13(20-10-11)9-19-17-14(16-18-19)12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3
InChIKeyGVDPATWVNCDGCI-UHFFFAOYSA-N
XLogP1.70
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine (CID 62446607) is N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine is CNCc1coc(Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine?
The InChIKey is GVDPATWVNCDGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-15-8-11-7-13(20-10-11)9-19-17-14(16-18-19)12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine?
N-methyl-1-[5-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine has a molecular weight of 269.31 g/mol, XLogP of 1.70, 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-[(5-phenyltetrazol-2-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).