3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

C8H11N5O — CID 58336917

IUPAC3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ncn(C(C)C)n2)n1
InChIInChI=1S/C8H11N5O/c1-5(2)13-4-9-7(11-13)8-10-6(3)12-14-8/h4-5H,1-3H3
InChIKeyZXENHXWNSFPUAN-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.22
Rot. Bonds2

About 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole

3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (PubChem CID 58336917) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
PubChem CID58336917
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ncn(C(C)C)n2)n1
InChIInChI=1S/C8H11N5O/c1-5(2)13-4-9-7(11-13)8-10-6(3)12-14-8/h4-5H,1-3H3
InChIKeyZXENHXWNSFPUAN-UHFFFAOYSA-N
XLogP1.22
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-Propyl-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56780629
5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
Methyl 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 72017912
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 118762857
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
CID 129608891
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-(3-methyl-4H-1,2,4-triazol-4-yl)ethanamine
CID 129611417
5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 132305722
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 164629928
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 129624340
N-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 131904166
5-(4,5-Dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
CID 18726752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole (CID 58336917) is 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is Cc1noc(-c2ncn(C(C)C)n2)n1.
What is the InChIKey of 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZXENHXWNSFPUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(2)13-4-9-7(11-13)8-10-6(3)12-14-8/h4-5H,1-3H3.
What are the key properties of 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole?
3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 193.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 58336917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).