1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine

C9H14N6O — CID 79542451

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCc1noc(Cn2nnc(N)c2C(C)C)n1
InChIInChI=1S/C9H14N6O/c1-5(2)8-9(10)12-14-15(8)4-7-11-6(3)13-16-7/h5H,4,10H2,1-3H3
InChIKeyJNEJGBNIUMHEKG-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.72
Rot. Bonds3

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine (PubChem CID 79542451) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine
PubChem CID79542451
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCc1noc(Cn2nnc(N)c2C(C)C)n1
InChIInChI=1S/C9H14N6O/c1-5(2)8-9(10)12-14-15(8)4-7-11-6(3)13-16-7/h5H,4,10H2,1-3H3
InChIKeyJNEJGBNIUMHEKG-UHFFFAOYSA-N
XLogP0.72
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542064
5-propan-2-yl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059323
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79536330
ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
CID 79317940
5-(2-aminoethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103118767
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
CID 171626644
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
CID 75386587
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 103105189
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-propan-2-yltriazol-4-amine
CID 79543224
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79543214
4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567821

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine (CID 79542451) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine is Cc1noc(Cn2nnc(N)c2C(C)C)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine?
The InChIKey is JNEJGBNIUMHEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-5(2)8-9(10)12-14-15(8)4-7-11-6(3)13-16-7/h5H,4,10H2,1-3H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine has a molecular weight of 222.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79542451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).