(5-cyano-3-pyridinyl)urea

C7H6N4O — CID 159088018

IUPAC(5-cyano-3-pyridinyl)urea
SMILESN#Cc1cncc(NC(N)=O)c1
InChIInChI=1S/C7H6N4O/c8-2-5-1-6(4-10-3-5)11-7(9)12/h1,3-4H,(H3,9,11,12)
InChIKeyKBRRYOPKPSTQKG-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.44
Rot. Bonds1

About (5-cyano-3-pyridinyl)urea

(5-cyano-3-pyridinyl)urea (PubChem CID 159088018) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is (5-cyano-3-pyridinyl)urea.

Molecular Properties

Compound Name(5-cyano-3-pyridinyl)urea
PubChem CID159088018
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name(5-cyano-3-pyridinyl)urea
SMILESN#Cc1cncc(NC(N)=O)c1
InChIInChI=1S/C7H6N4O/c8-2-5-1-6(4-10-3-5)11-7(9)12/h1,3-4H,(H3,9,11,12)
InChIKeyKBRRYOPKPSTQKG-UHFFFAOYSA-N
XLogP0.44
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-3-pyridinyl)urea?
The IUPAC name of (5-cyano-3-pyridinyl)urea (CID 159088018) is (5-cyano-3-pyridinyl)urea.
What is the SMILES notation for (5-cyano-3-pyridinyl)urea?
The canonical SMILES for (5-cyano-3-pyridinyl)urea is N#Cc1cncc(NC(N)=O)c1.
What is the InChIKey of (5-cyano-3-pyridinyl)urea?
The InChIKey is KBRRYOPKPSTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-2-5-1-6(4-10-3-5)11-7(9)12/h1,3-4H,(H3,9,11,12).
What are the key properties of (5-cyano-3-pyridinyl)urea?
(5-cyano-3-pyridinyl)urea has a molecular weight of 162.15 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-3-pyridinyl)urea is sourced from PubChem (CID 159088018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).