5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine

C23H30N8 — CID 68947289

IUPAC5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cn1
InChIInChI=1S/C23H30N8/c24-21-11-10-19(16-25-21)22(30-13-5-12-29(14-15-30)20-8-4-9-20)23-26-27-28-31(23)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20,22H,4-5,8-9,12-15,17H2,(H2,24,25)
InChIKeyQUEIBJPFFUBYOT-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.35
Rot. Bonds6

About 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine

5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (PubChem CID 68947289) has the molecular formula C23H30N8 and a molecular weight of 418.55 g/mol. Its IUPAC name is 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
PubChem CID68947289
Molecular FormulaC23H30N8
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC Name5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cn1
InChIInChI=1S/C23H30N8/c24-21-11-10-19(16-25-21)22(30-13-5-12-29(14-15-30)20-8-4-9-20)23-26-27-28-31(23)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20,22H,4-5,8-9,12-15,17H2,(H2,24,25)
InChIKeyQUEIBJPFFUBYOT-UHFFFAOYSA-N
XLogP2.35
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-cyclobutyl-4-[(4-fluorophenyl)-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]methyl]-1,4-diazepane
CID 68943443
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
3-[3-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 68949031
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[1-(1-benzyltetrazol-5-yl)-2-(4-pyridin-2-ylphenyl)ethyl]-4-cyclobutyl-1,4-diazepane
CID 143839881
1-[(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-cyclohexylpiperazine;1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;1-cyclohexyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine;methane;1-methyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 167687220
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine;deuteriomethane
CID 167662608
(8aS)-2-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124766331

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (CID 68947289) is 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is Nc1ccc(C(c2nnnn2Cc2ccccc2)N2CCCN(C3CCC3)CC2)cn1.
What is the InChIKey of 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The InChIKey is QUEIBJPFFUBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8/c24-21-11-10-19(16-25-21)22(30-13-5-12-29(14-15-30)20-8-4-9-20)23-26-27-28-31(23)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20,22H,4-5,8-9,12-15,17H2,(H2,24,25).
What are the key properties of 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine has a molecular weight of 418.55 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyltetrazol-5-yl)-(4-cyclobutyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 68947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).