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

C7H13N5O — CID 118964287

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
SMILESCc1nnc(N2CCN(N)CC2)o1
InChIInChI=1S/C7H13N5O/c1-6-9-10-7(13-6)11-2-4-12(8)5-3-11/h2-5,8H2,1H3
InChIKeyRUBCDOZAVDSXPN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.63
Rot. Bonds1

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

4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine (PubChem CID 118964287) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
PubChem CID118964287
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
SMILESCc1nnc(N2CCN(N)CC2)o1
InChIInChI=1S/C7H13N5O/c1-6-9-10-7(13-6)11-2-4-12(8)5-3-11/h2-5,8H2,1H3
InChIKeyRUBCDOZAVDSXPN-UHFFFAOYSA-N
XLogP-0.63
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine (CID 118964287) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine is Cc1nnc(N2CCN(N)CC2)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine?
The InChIKey is RUBCDOZAVDSXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-6-9-10-7(13-6)11-2-4-12(8)5-3-11/h2-5,8H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine?
4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine has a molecular weight of 183.21 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine is sourced from PubChem (CID 118964287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).