5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole

C10H20N4 — CID 137470788

IUPAC5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole
SMILESCC(C)CCc1nnnn1CC(C)C
InChIInChI=1S/C10H20N4/c1-8(2)5-6-10-11-12-13-14(10)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySZEFCEJSUMEASH-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.92
Rot. Bonds5

About 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole

5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole (PubChem CID 137470788) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole
PubChem CID137470788
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole
SMILESCC(C)CCc1nnnn1CC(C)C
InChIInChI=1S/C10H20N4/c1-8(2)5-6-10-11-12-13-14(10)7-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeySZEFCEJSUMEASH-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methylpropyl)tetrazol-5-yl]methanamine
CID 62736877
1-[[5-(3-methylbutyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437134
2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
CID 66041379
2-[(5-hexyltetrazol-1-yl)methyl]-4-methylpentanoic acid
CID 114754247
2-methyl-3-(5-propyltetrazol-1-yl)propanoic acid
CID 66046752
1-(2-methylpropyl)-5-(trichloromethyl)tetrazole
CID 69030908
5-(chloromethyl)-1-(5-methylhexyl)tetrazole
CID 115326686
2-ethyl-2-[5-(3-methylbutyl)tetrazol-1-yl]butanoic acid
CID 79809912
2-[[5-[2-(2,2-difluoroethoxy)ethyl]tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 103213501
2-methyl-N-[[1-(2-methylbutyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62738196
4-[5-[2-(dimethylamino)ethyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81071397
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
CID 62762419

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole?
The IUPAC name of 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole (CID 137470788) is 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole is CC(C)CCc1nnnn1CC(C)C.
What is the InChIKey of 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole?
The InChIKey is SZEFCEJSUMEASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)5-6-10-11-12-13-14(10)7-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole?
5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole has a molecular weight of 196.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-1-(2-methylpropyl)tetrazole is sourced from PubChem (CID 137470788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).