2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C22H32N6 — CID 3193592

IUPAC2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C22H32N6/c1-17-9-11-18(12-10-17)21(27-15-14-26-13-5-8-20(26)16-27)22-23-24-25-28(22)19-6-3-2-4-7-19/h9-12,19-21H,2-8,13-16H2,1H3
InChIKeyLGHNSILAIFKICR-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.36
Rot. Bonds4

About 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 3193592) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID3193592
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(C(c2nnnn2C2CCCCC2)N2CCN3CCCC3C2)cc1
InChIInChI=1S/C22H32N6/c1-17-9-11-18(12-10-17)21(27-15-14-26-13-5-8-20(26)16-27)22-23-24-25-28(22)19-6-3-2-4-7-19/h9-12,19-21H,2-8,13-16H2,1H3
InChIKeyLGHNSILAIFKICR-UHFFFAOYSA-N
XLogP3.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(4-isopropylphenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865448
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperazine
CID 137656433
1-[(1-Benzyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 646451
1-Cyclopentyl-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647025
2-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-1,2,3,4-tetrahydro-isoquinoline
CID 647670
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-methyl]-benzonitrile
CID 648441
4-[(2-Aza-spiro[5.5]undec-2-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 652320
4-[(1-Phenethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-thiomorpholine
CID 655758

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 3193592) is 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc(C(c2nnnn2C2CCCCC2)N2CCN3CCCC3C2)cc1.
What is the InChIKey of 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LGHNSILAIFKICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-17-9-11-18(12-10-17)21(27-15-14-26-13-5-8-20(26)16-27)22-23-24-25-28(22)19-6-3-2-4-7-19/h9-12,19-21H,2-8,13-16H2,1H3.
What are the key properties of 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 380.54 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 3193592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).