3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

C10H13N5 — CID 3041344

IUPAC3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCc1cccc(NCCc2nn[nH]n2)c1
InChIInChI=1S/C10H13N5/c1-8-3-2-4-9(7-8)11-6-5-10-12-14-15-13-10/h2-4,7,11H,5-6H2,1H3,(H,12,13,14,15)
InChIKeyDYSWQZWLCILFEO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.16
Rot. Bonds4

About 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 3041344) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID3041344
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCc1cccc(NCCc2nn[nH]n2)c1
InChIInChI=1S/C10H13N5/c1-8-3-2-4-9(7-8)11-6-5-10-12-14-15-13-10/h2-4,7,11H,5-6H2,1H3,(H,12,13,14,15)
InChIKeyDYSWQZWLCILFEO-UHFFFAOYSA-N
XLogP1.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 3041344) is 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is Cc1cccc(NCCc2nn[nH]n2)c1.
What is the InChIKey of 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is DYSWQZWLCILFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-3-2-4-9(7-8)11-6-5-10-12-14-15-13-10/h2-4,7,11H,5-6H2,1H3,(H,12,13,14,15).
What are the key properties of 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline has a molecular weight of 203.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 3041344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).