N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine

C11H15N5 — CID 62736705

IUPACN-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCc1ccccc1
InChIInChI=1S/C11H15N5/c1-12-9-11-13-14-15-16(11)8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNMMSIKWEPWATEM-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.64
Rot. Bonds5

About N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine

N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine (PubChem CID 62736705) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine
PubChem CID62736705
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCc1ccccc1
InChIInChI=1S/C11H15N5/c1-12-9-11-13-14-15-16(11)8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyNMMSIKWEPWATEM-UHFFFAOYSA-N
XLogP0.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine (CID 62736705) is N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine is CNCc1nnnn1CCc1ccccc1.
What is the InChIKey of N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine?
The InChIKey is NMMSIKWEPWATEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-12-9-11-13-14-15-16(11)8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62736705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).