1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine

C16H24N6O — CID 56816150

IUPAC1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCCCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N6O/c1-14-4-6-15(7-5-14)22-16(18-19-20-22)17-8-2-3-9-21-10-12-23-13-11-21/h4-7H,2-3,8-13H2,1H3,(H,17,18,20)
InChIKeyFWJFYZUFTADVJP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.50
Rot. Bonds7

About 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine

1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine (PubChem CID 56816150) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
PubChem CID56816150
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCCCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N6O/c1-14-4-6-15(7-5-14)22-16(18-19-20-22)17-8-2-3-9-21-10-12-23-13-11-21/h4-7H,2-3,8-13H2,1H3,(H,17,18,20)
InChIKeyFWJFYZUFTADVJP-UHFFFAOYSA-N
XLogP1.50
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propyl]-1,4-benzoxazin-3-one
CID 133330600
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
CID 47292449
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one
CID 94521709
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 60570019
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
CID 133294032
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
N'-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 29151701
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
CID 60521247
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 55742205
4-[3-(4-methylpyridin-1-ium-1-yl)propyl]morpholine bromide
CID 139661024
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine (CID 56816150) is 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine is Cc1ccc(-n2nnnc2NCCCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine?
The InChIKey is FWJFYZUFTADVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-14-4-6-15(7-5-14)22-16(18-19-20-22)17-8-2-3-9-21-10-12-23-13-11-21/h4-7H,2-3,8-13H2,1H3,(H,17,18,20).
What are the key properties of 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine?
1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine has a molecular weight of 316.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine is sourced from PubChem (CID 56816150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).