1-cyclopropylpiperazine-2-carbonitrile

C8H13N3 — CID 54592898

IUPAC1-cyclopropylpiperazine-2-carbonitrile
SMILESN#CC1CNCCN1C1CC1
InChIInChI=1S/C8H13N3/c9-5-8-6-10-3-4-11(8)7-1-2-7/h7-8,10H,1-4,6H2
InChIKeyHVIXJTLUHJSOIV-UHFFFAOYSA-N
MW151.21 g/mol
LogP-0.05
Rot. Bonds1

About 1-cyclopropylpiperazine-2-carbonitrile

1-cyclopropylpiperazine-2-carbonitrile (PubChem CID 54592898) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-cyclopropylpiperazine-2-carbonitrile.

Molecular Properties

Compound Name1-cyclopropylpiperazine-2-carbonitrile
PubChem CID54592898
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-cyclopropylpiperazine-2-carbonitrile
SMILESN#CC1CNCCN1C1CC1
InChIInChI=1S/C8H13N3/c9-5-8-6-10-3-4-11(8)7-1-2-7/h7-8,10H,1-4,6H2
InChIKeyHVIXJTLUHJSOIV-UHFFFAOYSA-N
XLogP-0.05
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpiperazine-2-carbonitrile?
The IUPAC name of 1-cyclopropylpiperazine-2-carbonitrile (CID 54592898) is 1-cyclopropylpiperazine-2-carbonitrile.
What is the SMILES notation for 1-cyclopropylpiperazine-2-carbonitrile?
The canonical SMILES for 1-cyclopropylpiperazine-2-carbonitrile is N#CC1CNCCN1C1CC1.
What is the InChIKey of 1-cyclopropylpiperazine-2-carbonitrile?
The InChIKey is HVIXJTLUHJSOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-5-8-6-10-3-4-11(8)7-1-2-7/h7-8,10H,1-4,6H2.
What are the key properties of 1-cyclopropylpiperazine-2-carbonitrile?
1-cyclopropylpiperazine-2-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpiperazine-2-carbonitrile is sourced from PubChem (CID 54592898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).