1,5-bis(2-methylpropyl)tetrazole

C9H18N4 — CID 69031018

IUPAC1,5-bis(2-methylpropyl)tetrazole
SMILESCC(C)Cc1nnnn1CC(C)C
InChIInChI=1S/C9H18N4/c1-7(2)5-9-10-11-12-13(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKOKAUZYLCDACTM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.53
Rot. Bonds4

About 1,5-bis(2-methylpropyl)tetrazole

1,5-bis(2-methylpropyl)tetrazole (PubChem CID 69031018) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,5-bis(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name1,5-bis(2-methylpropyl)tetrazole
PubChem CID69031018
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1,5-bis(2-methylpropyl)tetrazole
SMILESCC(C)Cc1nnnn1CC(C)C
InChIInChI=1S/C9H18N4/c1-7(2)5-9-10-11-12-13(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyKOKAUZYLCDACTM-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Isobutyl-5-methyl-1H-tetrazole
CID 3021461
1-(3-Iodoprop-2-ynyl)-5-isopropyl-tetrazole
CID 497119
1-(3-Iodoprop-2-ynyl)-5-isobutyl-tetrazole
CID 497121
7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
CID 15304946
5-Tert-butyl-1-(2-fluoroethyl)tetrazole
CID 59442728
5-Ethyl-1-(2-fluoroethyl)tetrazole
CID 89043549
5-(Difluoromethyl)-1-(2-methylpropyl)tetrazole
CID 165138968
1-Ethyl-5-(1-fluoroethyl)tetrazole
CID 169620680
1,5-Diethyl-1H-tetrazole
CID 13258501
1-Methyl-5-propan-2-yltetrazole
CID 10351706
1-Butyl-5-hexyltetrazole
CID 56652820
1,5-Dibutyltetrazole
CID 69031174

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylpropyl)tetrazole?
The IUPAC name of 1,5-bis(2-methylpropyl)tetrazole (CID 69031018) is 1,5-bis(2-methylpropyl)tetrazole.
What is the SMILES notation for 1,5-bis(2-methylpropyl)tetrazole?
The canonical SMILES for 1,5-bis(2-methylpropyl)tetrazole is CC(C)Cc1nnnn1CC(C)C.
What is the InChIKey of 1,5-bis(2-methylpropyl)tetrazole?
The InChIKey is KOKAUZYLCDACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)5-9-10-11-12-13(9)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,5-bis(2-methylpropyl)tetrazole?
1,5-bis(2-methylpropyl)tetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylpropyl)tetrazole is sourced from PubChem (CID 69031018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).