1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine

C20H25ClN6 — CID 3193691

IUPAC1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C20H25ClN6/c1-15(19-23-24-25-27(19)20(2,3)4)26(13-16-8-7-11-22-12-16)14-17-9-5-6-10-18(17)21/h5-12,15H,13-14H2,1-4H3
InChIKeyAWPCEWWPJOKOCD-UHFFFAOYSA-N
MW384.92 g/mol
LogP4.24
Rot. Bonds6

About 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine

1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 3193691) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID3193691
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC Name1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCC(c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1ccccc1Cl
InChIInChI=1S/C20H25ClN6/c1-15(19-23-24-25-27(19)20(2,3)4)26(13-16-8-7-11-22-12-16)14-17-9-5-6-10-18(17)21/h5-12,15H,13-14H2,1-4H3
InChIKeyAWPCEWWPJOKOCD-UHFFFAOYSA-N
XLogP4.24
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine (CID 3193691) is 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine is CC(c1nnnn1C(C)(C)C)N(Cc1cccnc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is AWPCEWWPJOKOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6/c1-15(19-23-24-25-27(19)20(2,3)4)26(13-16-8-7-11-22-12-16)14-17-9-5-6-10-18(17)21/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine?
1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 384.92 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 3193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).