5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole

C14H20N4 — CID 167209854

IUPAC5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
SMILESCCCc1ccccc1-n1nnnc1CC(C)C
InChIInChI=1S/C14H20N4/c1-4-7-12-8-5-6-9-13(12)18-14(10-11(2)3)15-16-17-18/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyLIKKWMBBEBXMDM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds5

About 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole

5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole (PubChem CID 167209854) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
PubChem CID167209854
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
SMILESCCCc1ccccc1-n1nnnc1CC(C)C
InChIInChI=1S/C14H20N4/c1-4-7-12-8-5-6-9-13(12)18-14(10-11(2)3)15-16-17-18/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyLIKKWMBBEBXMDM-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
5-pentoxy-1-(2-propylphenyl)tetrazole
CID 90685701
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763334
1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735546
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
1-(2-benzylphenyl)-5-(chloromethyl)tetrazole
CID 43247254
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
1-bromo-5-(2-methylpropyl)tetrazole
CID 69031803
N-ethyl-1-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63198408
5-ethyl-1-(2-propoxyphenyl)tetrazole
CID 23118004
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
3-methyl-1-(1-phenyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202229

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole?
The IUPAC name of 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole (CID 167209854) is 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole.
What is the SMILES notation for 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole?
The canonical SMILES for 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole is CCCc1ccccc1-n1nnnc1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole?
The InChIKey is LIKKWMBBEBXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-7-12-8-5-6-9-13(12)18-14(10-11(2)3)15-16-17-18/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole?
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole has a molecular weight of 244.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole is sourced from PubChem (CID 167209854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).