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

C7H8N6O — CID 62807500

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C7H8N6O/c8-5-4(12-14-13-5)7-9-6(10-11-7)3-1-2-3/h3H,1-2H2,(H2,8,13)(H,9,10,11)
InChIKeyIZTXHAAHCOMLNE-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.31
Rot. Bonds2

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

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807500) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807500
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1n[nH]c(C2CC2)n1
InChIInChI=1S/C7H8N6O/c8-5-4(12-14-13-5)7-9-6(10-11-7)3-1-2-3/h3H,1-2H2,(H2,8,13)(H,9,10,11)
InChIKeyIZTXHAAHCOMLNE-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 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62807500) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1n[nH]c(C2CC2)n1.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is IZTXHAAHCOMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c8-5-4(12-14-13-5)7-9-6(10-11-7)3-1-2-3/h3H,1-2H2,(H2,8,13)(H,9,10,11).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-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 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).