3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine

C16H16Cl2N6 — CID 24784752

IUPAC3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine
SMILESCC(C)Cn1nnnc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N6/c1-10(2)9-24-16(21-22-23-24)11-7-14(18)15(19-8-11)20-13-5-3-12(17)4-6-13/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyWTQXFBQEJUNLJW-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.44
Rot. Bonds5

About 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine (PubChem CID 24784752) has the molecular formula C16H16Cl2N6 and a molecular weight of 363.25 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine
PubChem CID24784752
Molecular FormulaC16H16Cl2N6
Molecular Weight363.25 g/mol
Exact Mass362.08
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine
SMILESCC(C)Cn1nnnc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H16Cl2N6/c1-10(2)9-24-16(21-22-23-24)11-7-14(18)15(19-8-11)20-13-5-3-12(17)4-6-13/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyWTQXFBQEJUNLJW-UHFFFAOYSA-N
XLogP4.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine (CID 24784752) is 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine is CC(C)Cn1nnnc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine?
The InChIKey is WTQXFBQEJUNLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6/c1-10(2)9-24-16(21-22-23-24)11-7-14(18)15(19-8-11)20-13-5-3-12(17)4-6-13/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine has a molecular weight of 363.25 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-5-[1-(2-methylpropyl)tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 24784752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).