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

C10H13N5 — CID 3041347

IUPAC4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)11-7-6-10-12-14-15-13-10/h2-5,11H,6-7H2,1H3,(H,12,13,14,15)
InChIKeyAOZFQPYRXRHWRW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.16
Rot. Bonds4

About 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline

4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (PubChem CID 3041347) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
PubChem CID3041347
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
SMILESCc1ccc(NCCc2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)11-7-6-10-12-14-15-13-10/h2-5,11H,6-7H2,1H3,(H,12,13,14,15)
InChIKeyAOZFQPYRXRHWRW-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 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline (CID 3041347) is 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is Cc1ccc(NCCc2nn[nH]n2)cc1.
What is the InChIKey of 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
The InChIKey is AOZFQPYRXRHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-8-2-4-9(5-3-8)11-7-6-10-12-14-15-13-10/h2-5,11H,6-7H2,1H3,(H,12,13,14,15).
What are the key properties of 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline?
4-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 4-methyl-N-[2-(2H-tetrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 3041347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).