3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

C8H12N6O — CID 84587243

IUPAC3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nnnn1Cc1noc(C(C)C)n1
InChIInChI=1S/C8H12N6O/c1-5(2)8-9-7(11-15-8)4-14-6(3)10-12-13-14/h5H,4H2,1-3H3
InChIKeyQMVCEYWBOYVJAY-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds3

About 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 84587243) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID84587243
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nnnn1Cc1noc(C(C)C)n1
InChIInChI=1S/C8H12N6O/c1-5(2)8-9-7(11-15-8)4-14-6(3)10-12-13-14/h5H,4H2,1-3H3
InChIKeyQMVCEYWBOYVJAY-UHFFFAOYSA-N
XLogP0.54
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 53595566
5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 72114175
3-[(2S)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-5-ethyl-1,2,4-oxadiazole
CID 95766244
3-[[5-(Difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 132970561
5-Butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 136514600
3-[(5-Cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 136524536
N,N-dimethyl-2-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
CID 56824775
3-[(5-Cyclopentyltetrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 71879345
1-butyl-5-{[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl}-1H-1,2,3,4-tetrazole
CID 72149452
3-Tert-butyl-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 139497334

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 84587243) is 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1nnnn1Cc1noc(C(C)C)n1.
What is the InChIKey of 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is QMVCEYWBOYVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-5(2)8-9-7(11-15-8)4-14-6(3)10-12-13-14/h5H,4H2,1-3H3.
What are the key properties of 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 208.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyltetrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 84587243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).