N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline

C9H11N5 — CID 855820

IUPACN,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-14(2)8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,1-2H3,(H,10,11,12,13)
InChIKeyWSHRQMGCLLHKTP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds2

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

N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline (PubChem CID 855820) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
PubChem CID855820
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN,N-dimethyl-4-(2H-tetrazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5/c1-14(2)8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,1-2H3,(H,10,11,12,13)
InChIKeyWSHRQMGCLLHKTP-UHFFFAOYSA-N
XLogP0.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline (CID 855820) is N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline is CN(C)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
The InChIKey is WSHRQMGCLLHKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14(2)8-5-3-7(4-6-8)9-10-12-13-11-9/h3-6H,1-2H3,(H,10,11,12,13).
What are the key properties of N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline?
N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 855820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).