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

C9H10Cl2N6 — CID 107050223

IUPAC1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C9H10Cl2N6/c1-17-15-8(14-16-17)3-7(12)9-6(11)2-5(10)4-13-9/h2,4,7H,3,12H2,1H3
InChIKeyICOVZMKYVFLMOD-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.15
Rot. Bonds3

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

1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050223) has the molecular formula C9H10Cl2N6 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050223
Molecular FormulaC9H10Cl2N6
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C9H10Cl2N6/c1-17-15-8(14-16-17)3-7(12)9-6(11)2-5(10)4-13-9/h2,4,7H,3,12H2,1H3
InChIKeyICOVZMKYVFLMOD-UHFFFAOYSA-N
XLogP1.15
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780623
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780629
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
1-(3,5-dichloro-2-pyridinyl)-2-methoxyethanamine
CID 79016126
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
1-(3,5-dichloro-2-pyridinyl)-2-(furan-3-yl)ethanamine
CID 83182559
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050223) is 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is ICOVZMKYVFLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N6/c1-17-15-8(14-16-17)3-7(12)9-6(11)2-5(10)4-13-9/h2,4,7H,3,12H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 273.13 g/mol, XLogP of 1.15, 3 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)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).