4-(morpholin-4-ylamino)cinnoline-3-carbonitrile

C13H13N5O — CID 83025777

IUPAC4-(morpholin-4-ylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NN1CCOCC1
InChIInChI=1S/C13H13N5O/c14-9-12-13(17-18-5-7-19-8-6-18)10-3-1-2-4-11(10)15-16-12/h1-4H,5-8H2,(H,15,17)
InChIKeyIKXMZCDJAKMYEE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.16
Rot. Bonds2

About 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile

4-(morpholin-4-ylamino)cinnoline-3-carbonitrile (PubChem CID 83025777) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(morpholin-4-ylamino)cinnoline-3-carbonitrile
PubChem CID83025777
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(morpholin-4-ylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NN1CCOCC1
InChIInChI=1S/C13H13N5O/c14-9-12-13(17-18-5-7-19-8-6-18)10-3-1-2-4-11(10)15-16-12/h1-4H,5-8H2,(H,15,17)
InChIKeyIKXMZCDJAKMYEE-UHFFFAOYSA-N
XLogP1.16
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile (CID 83025777) is 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NN1CCOCC1.
What is the InChIKey of 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile?
The InChIKey is IKXMZCDJAKMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-9-12-13(17-18-5-7-19-8-6-18)10-3-1-2-4-11(10)15-16-12/h1-4H,5-8H2,(H,15,17).
What are the key properties of 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile?
4-(morpholin-4-ylamino)cinnoline-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 83025777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).