1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

C18H18Cl2N6 — CID 68584679

IUPAC1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2N2CCCC2)c1Cl
InChIInChI=1S/C18H18Cl2N6/c19-14-7-5-9-16(17(14)20)26-18(22-23-24-26)21-12-13-6-1-2-8-15(13)25-10-3-4-11-25/h1-2,5-9H,3-4,10-12H2,(H,21,22,24)
InChIKeySDSPDZZVTXZJBG-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.18
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 68584679) has the molecular formula C18H18Cl2N6 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
PubChem CID68584679
Molecular FormulaC18H18Cl2N6
Molecular Weight389.29 g/mol
Exact Mass388.10
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2N2CCCC2)c1Cl
InChIInChI=1S/C18H18Cl2N6/c19-14-7-5-9-16(17(14)20)26-18(22-23-24-26)21-12-13-6-1-2-8-15(13)25-10-3-4-11-25/h1-2,5-9H,3-4,10-12H2,(H,21,22,24)
InChIKeySDSPDZZVTXZJBG-UHFFFAOYSA-N
XLogP4.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine (CID 68584679) is 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is Clc1cccc(-n2nnnc2NCc2ccccc2N2CCCC2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is SDSPDZZVTXZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6/c19-14-7-5-9-16(17(14)20)26-18(22-23-24-26)21-12-13-6-1-2-8-15(13)25-10-3-4-11-25/h1-2,5-9H,3-4,10-12H2,(H,21,22,24).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 389.29 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 68584679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).