1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine

C9H10ClN5 — CID 539378

IUPAC1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5/c1-14(2)9-11-12-13-15(9)8-5-3-7(10)4-6-8/h3-6H,1-2H3
InChIKeyQKPHBZZPOHBGLN-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.38
Rot. Bonds2

About 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine

1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine (PubChem CID 539378) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine
PubChem CID539378
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN5/c1-14(2)9-11-12-13-15(9)8-5-3-7(10)4-6-8/h3-6H,1-2H3
InChIKeyQKPHBZZPOHBGLN-UHFFFAOYSA-N
XLogP1.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine
CID 1487159
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N,N-dimethyl-1-phenylmethanamine
CID 56689996
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
[1-(4-chlorophenyl)tetrazol-5-yl]hydrazine
CID 131053219
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
4-chloro-1-(4-chlorophenyl)-5-methyltriazole
CID 177125096
[1-[1-(4-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7282481
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 3311918

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine (CID 539378) is 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine is CN(C)c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine?
The InChIKey is QKPHBZZPOHBGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-14(2)9-11-12-13-15(9)8-5-3-7(10)4-6-8/h3-6H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine?
1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine has a molecular weight of 223.67 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethyltetrazol-5-amine is sourced from PubChem (CID 539378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).