1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C10H12Cl2N6 — CID 107050226

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N6/c1-13-8(4-9-15-17-18(2)16-9)10-7(12)3-6(11)5-14-10/h3,5,8,13H,4H2,1-2H3
InChIKeyOCEDKPWHGNLKAU-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.42
Rot. Bonds4

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050226) has the molecular formula C10H12Cl2N6 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050226
Molecular FormulaC10H12Cl2N6
Molecular Weight287.15 g/mol
Exact Mass286.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N6/c1-13-8(4-9-15-17-18(2)16-9)10-7(12)3-6(11)5-14-10/h3,5,8,13H,4H2,1-2H3
InChIKeyOCEDKPWHGNLKAU-UHFFFAOYSA-N
XLogP1.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051458
[1-(3,5-dimethyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066382
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79780724
1-(1H-imidazol-2-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050353
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79783515
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 107884966
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050226) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is OCEDKPWHGNLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N6/c1-13-8(4-9-15-17-18(2)16-9)10-7(12)3-6(11)5-14-10/h3,5,8,13H,4H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 287.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).