1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile

C9H9N3 — CID 142611955

IUPAC1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cncc(N)c2)CC1
InChIInChI=1S/C9H9N3/c10-6-9(1-2-9)7-3-8(11)5-12-4-7/h3-5H,1-2,11H2
InChIKeyBLJJKMOBCWJANL-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.22
Rot. Bonds1

About 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile

1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 142611955) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID142611955
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cncc(N)c2)CC1
InChIInChI=1S/C9H9N3/c10-6-9(1-2-9)7-3-8(11)5-12-4-7/h3-5H,1-2,11H2
InChIKeyBLJJKMOBCWJANL-UHFFFAOYSA-N
XLogP1.22
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile (CID 142611955) is 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile is N#CC1(c2cncc(N)c2)CC1.
What is the InChIKey of 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is BLJJKMOBCWJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-6-9(1-2-9)7-3-8(11)5-12-4-7/h3-5H,1-2,11H2.
What are the key properties of 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile?
1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 142611955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).