2-methylaniline;2H-tetrazole

C8H11N5 — CID 67895698

IUPAC2-methylaniline;2H-tetrazole
SMILESCc1ccccc1N.c1nn[nH]n1
InChIInChI=1S/C7H9N.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5H,8H2,1H3;1H,(H,2,3,4,5)
InChIKeyRRMAAANSBBFGRW-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.78
Rot. Bonds

About 2-methylaniline;2H-tetrazole

2-methylaniline;2H-tetrazole (PubChem CID 67895698) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-methylaniline;2H-tetrazole.

Molecular Properties

Compound Name2-methylaniline;2H-tetrazole
PubChem CID67895698
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-methylaniline;2H-tetrazole
SMILESCc1ccccc1N.c1nn[nH]n1
InChIInChI=1S/C7H9N.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5H,8H2,1H3;1H,(H,2,3,4,5)
InChIKeyRRMAAANSBBFGRW-UHFFFAOYSA-N
XLogP0.78
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;2H-tetrazole?
The IUPAC name of 2-methylaniline;2H-tetrazole (CID 67895698) is 2-methylaniline;2H-tetrazole.
What is the SMILES notation for 2-methylaniline;2H-tetrazole?
The canonical SMILES for 2-methylaniline;2H-tetrazole is Cc1ccccc1N.c1nn[nH]n1.
What is the InChIKey of 2-methylaniline;2H-tetrazole?
The InChIKey is RRMAAANSBBFGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CH2N4/c1-6-4-2-3-5-7(6)8;1-2-4-5-3-1/h2-5H,8H2,1H3;1H,(H,2,3,4,5).
What are the key properties of 2-methylaniline;2H-tetrazole?
2-methylaniline;2H-tetrazole has a molecular weight of 177.21 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;2H-tetrazole is sourced from PubChem (CID 67895698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).