2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine

C10H13ClN6 — CID 178134660

IUPAC2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCc1cc(Cl)nc(C(CN)c2nnn(C)n2)c1
InChIInChI=1S/C10H13ClN6/c1-6-3-8(13-9(11)4-6)7(5-12)10-14-16-17(2)15-10/h3-4,7H,5,12H2,1-2H3
InChIKeyXFOROCIVXXKEDM-UHFFFAOYSA-N
MW252.71 g/mol
LogP0.66
Rot. Bonds3

About 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine

2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 178134660) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID178134660
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCc1cc(Cl)nc(C(CN)c2nnn(C)n2)c1
InChIInChI=1S/C10H13ClN6/c1-6-3-8(13-9(11)4-6)7(5-12)10-14-16-17(2)15-10/h3-4,7H,5,12H2,1-2H3
InChIKeyXFOROCIVXXKEDM-UHFFFAOYSA-N
XLogP0.66
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-6-propan-2-ylpyridine
CID 55264286
3-fluoro-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 127004654
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
5-[[3,5-bis(trifluoromethyl)phenyl]-chloromethyl]-2-methyltetrazole
CID 87891626
2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol
CID 170225037
[2-(2-methyltetrazol-5-yl)-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107066800
2-chloro-4,6-dimethyl(213C,115N)pyridine
CID 130416231
2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053375
[1-(3,5-dimethyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066382
2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
CID 130758214
2-amino-1-(2-methyltetrazol-5-yl)propan-1-ol
CID 84650561
3-chloro-5-methylpyridazine;dichloromethane
CID 163342385

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 178134660) is 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine is Cc1cc(Cl)nc(C(CN)c2nnn(C)n2)c1.
What is the InChIKey of 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is XFOROCIVXXKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-6-3-8(13-9(11)4-6)7(5-12)10-14-16-17(2)15-10/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine?
2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 252.71 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 178134660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).