4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile

C14H15N5 — CID 115301445

IUPAC4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC(N)C1CC1
InChIInChI=1S/C14H15N5/c15-7-13-14(17-8-11(16)9-5-6-9)10-3-1-2-4-12(10)18-19-13/h1-4,9,11H,5-6,8,16H2,(H,17,18)
InChIKeyBBTAJUQEIFWFND-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.65
Rot. Bonds4

About 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile

4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile (PubChem CID 115301445) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
PubChem CID115301445
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC(N)C1CC1
InChIInChI=1S/C14H15N5/c15-7-13-14(17-8-11(16)9-5-6-9)10-3-1-2-4-12(10)18-19-13/h1-4,9,11H,5-6,8,16H2,(H,17,18)
InChIKeyBBTAJUQEIFWFND-UHFFFAOYSA-N
XLogP1.65
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile (CID 115301445) is 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCC(N)C1CC1.
What is the InChIKey of 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile?
The InChIKey is BBTAJUQEIFWFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-7-13-14(17-8-11(16)9-5-6-9)10-3-1-2-4-12(10)18-19-13/h1-4,9,11H,5-6,8,16H2,(H,17,18).
What are the key properties of 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile?
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 115301445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).