4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

C8H12N6O — CID 62805913

IUPAC4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C8H12N6O/c1-3-4-5-10-8(14(2)11-5)6-7(9)13-15-12-6/h3-4H2,1-2H3,(H2,9,13)
InChIKeyKAFQKOIVZGPKDX-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.40
Rot. Bonds3

About 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62805913) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62805913
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCc1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C8H12N6O/c1-3-4-5-10-8(14(2)11-5)6-7(9)13-15-12-6/h3-4H2,1-2H3,(H2,9,13)
InChIKeyKAFQKOIVZGPKDX-UHFFFAOYSA-N
XLogP0.40
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62805913) is 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CCCc1nc(-c2nonc2N)n(C)n1.
What is the InChIKey of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is KAFQKOIVZGPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-3-4-5-10-8(14(2)11-5)6-7(9)13-15-12-6/h3-4H2,1-2H3,(H2,9,13).
What are the key properties of 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 208.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62805913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).