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

C8H10N6O — CID 62806089

IUPAC4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1nc(C2CC2)nc1-c1nonc1N
InChIInChI=1S/C8H10N6O/c1-14-8(5-6(9)13-15-12-5)10-7(11-14)4-2-3-4/h4H,2-3H2,1H3,(H2,9,13)
InChIKeyOFMWOGITQQCQFI-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.32
Rot. Bonds2

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

4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62806089) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62806089
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCn1nc(C2CC2)nc1-c1nonc1N
InChIInChI=1S/C8H10N6O/c1-14-8(5-6(9)13-15-12-5)10-7(11-14)4-2-3-4/h4H,2-3H2,1H3,(H2,9,13)
InChIKeyOFMWOGITQQCQFI-UHFFFAOYSA-N
XLogP0.32
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62806089) is 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Cn1nc(C2CC2)nc1-c1nonc1N.
What is the InChIKey of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is OFMWOGITQQCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-14-8(5-6(9)13-15-12-5)10-7(11-14)4-2-3-4/h4H,2-3H2,1H3,(H2,9,13).
What are the key properties of 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 206.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62806089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).