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

C8H9N5 — CID 67604632

IUPACN-methyl-2-(2H-tetrazol-5-yl)aniline
SMILESCNc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H9N5/c1-9-7-5-3-2-4-6(7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyOLYFYIGOHJVYJK-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.91
Rot. Bonds2

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

N-methyl-2-(2H-tetrazol-5-yl)aniline (PubChem CID 67604632) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(2H-tetrazol-5-yl)aniline
PubChem CID67604632
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-methyl-2-(2H-tetrazol-5-yl)aniline
SMILESCNc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H9N5/c1-9-7-5-3-2-4-6(7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKeyOLYFYIGOHJVYJK-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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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
2-(1H-tetrazol-5-yl)-N-(3-(trifluoromethyl)phenyl)aniline
CID 202904
2-(1H-1,2,3,4-Tetrazol-5-yl)aniline
CID 278090
2,6-Difluoro-N,N-dimethyl-4-(2H-tetrazol-5-yl)benzenamine
CID 2804192
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
2-(2-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372524
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
5-(p-Hexadecylaminophenyl)tetrazole
CID 23349345
2-[2-[3-(methylamino)propyl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372117
1H-Tetrazole-5-ethanamine, N-(3-methylphenyl)-
CID 3041344
1H-Tetrazole-5-ethanamine, N-(4-methylphenyl)-
CID 3041347

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)aniline (CID 67604632) is N-methyl-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-methyl-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-methyl-2-(2H-tetrazol-5-yl)aniline is CNc1ccccc1-c1nn[nH]n1.
What is the InChIKey of N-methyl-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is OLYFYIGOHJVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-9-7-5-3-2-4-6(7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13).
What are the key properties of N-methyl-2-(2H-tetrazol-5-yl)aniline?
N-methyl-2-(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-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 67604632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).