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

C8H9N5 — CID 22291261

IUPACN-methyl-4-(2H-tetrazol-5-yl)aniline
SMILESCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5/c1-9-7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyUYOHOIMQBWTNLS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.91
Rot. Bonds2

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

N-methyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 22291261) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID22291261
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-methyl-4-(2H-tetrazol-5-yl)aniline
SMILESCNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H9N5/c1-9-7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyUYOHOIMQBWTNLS-UHFFFAOYSA-N
XLogP0.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-methyl-4-(2H-tetrazol-5-yl)aniline (CID 22291261) is N-methyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-methyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-methyl-4-(2H-tetrazol-5-yl)aniline is CNc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-methyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is UYOHOIMQBWTNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-9-7-4-2-6(3-5-7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13).
What are the key properties of N-methyl-4-(2H-tetrazol-5-yl)aniline?
N-methyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 175.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 22291261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).