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

CID 3055901
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CID 890652
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CID 202904
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CID 278090
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CID 2804192
CID 2804192
CID 4440906
CID 4440906
CID 135372524
CID 135372524
CID 3041345
CID 3041345
CID 23349345
CID 23349345
CID 135372117
CID 135372117
CID 3041344
CID 3041344
CID 3041347
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).