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

C7H8N6O — CID 62794221

IUPAC5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CC3)no2)n1
InChIInChI=1S/C7H8N6O/c8-7-10-5(11-12-7)6-9-4(13-14-6)3-1-2-3/h3H,1-2H2,(H3,8,10,11,12)
InChIKeyTVCYVOVRYOXRNX-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.31
Rot. Bonds2

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

5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62794221) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62794221
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2nc(C3CC3)no2)n1
InChIInChI=1S/C7H8N6O/c8-7-10-5(11-12-7)6-9-4(13-14-6)3-1-2-3/h3H,1-2H2,(H3,8,10,11,12)
InChIKeyTVCYVOVRYOXRNX-UHFFFAOYSA-N
XLogP0.31
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62794221) is 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2nc(C3CC3)no2)n1.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is TVCYVOVRYOXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c8-7-10-5(11-12-7)6-9-4(13-14-6)3-1-2-3/h3H,1-2H2,(H3,8,10,11,12).
What are the key properties of 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 192.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).