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

C12H17N5 — CID 55108923

IUPACN-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
SMILESCCCc1ccccc1-n1nnnc1CNC
InChIInChI=1S/C12H17N5/c1-3-6-10-7-4-5-8-11(10)17-12(9-13-2)14-15-16-17/h4-5,7-8,13H,3,6,9H2,1-2H3
InChIKeyQKOQTWORHJIIIJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.33
Rot. Bonds5

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

N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine (PubChem CID 55108923) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
PubChem CID55108923
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
SMILESCCCc1ccccc1-n1nnnc1CNC
InChIInChI=1S/C12H17N5/c1-3-6-10-7-4-5-8-11(10)17-12(9-13-2)14-15-16-17/h4-5,7-8,13H,3,6,9H2,1-2H3
InChIKeyQKOQTWORHJIIIJ-UHFFFAOYSA-N
XLogP1.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.33
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-propylphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine (CID 55108923) is N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine is CCCc1ccccc1-n1nnnc1CNC.
What is the InChIKey of N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine?
The InChIKey is QKOQTWORHJIIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-6-10-7-4-5-8-11(10)17-12(9-13-2)14-15-16-17/h4-5,7-8,13H,3,6,9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.33, 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-propylphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 55108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).