1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile

C10H11N3 — CID 138544174

IUPAC1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(N)cn2)CCC1
InChIInChI=1S/C10H11N3/c11-7-10(4-1-5-10)9-3-2-8(12)6-13-9/h2-3,6H,1,4-5,12H2
InChIKeyRSCBSFZVTOOFSP-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.61
Rot. Bonds1

About 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile

1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile (PubChem CID 138544174) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile
PubChem CID138544174
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(N)cn2)CCC1
InChIInChI=1S/C10H11N3/c11-7-10(4-1-5-10)9-3-2-8(12)6-13-9/h2-3,6H,1,4-5,12H2
InChIKeyRSCBSFZVTOOFSP-UHFFFAOYSA-N
XLogP1.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile (CID 138544174) is 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile is N#CC1(c2ccc(N)cn2)CCC1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile?
The InChIKey is RSCBSFZVTOOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-10(4-1-5-10)9-3-2-8(12)6-13-9/h2-3,6H,1,4-5,12H2.
What are the key properties of 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile?
1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 138544174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).