(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea

C12H12N4O — CID 13206652

IUPAC(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea
SMILESCNC(=O)/N=c1/ccn(-c2ccccc2)nc1
InChIInChI=1S/C12H12N4O/c1-13-12(17)15-10-7-8-16(14-9-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,17)/b15-10-
InChIKeyPRAMCRKMBOQSAJ-GDNBJRDFSA-N
MW228.25 g/mol
LogP1.11
Rot. Bonds1

About (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea

(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea (PubChem CID 13206652) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea
PubChem CID13206652
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea
SMILESCNC(=O)/N=c1/ccn(-c2ccccc2)nc1
InChIInChI=1S/C12H12N4O/c1-13-12(17)15-10-7-8-16(14-9-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,17)/b15-10-
InChIKeyPRAMCRKMBOQSAJ-GDNBJRDFSA-N
XLogP1.11
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea?
The IUPAC name of (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea (CID 13206652) is (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea.
What is the SMILES notation for (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea?
The canonical SMILES for (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea is CNC(=O)/N=c1/ccn(-c2ccccc2)nc1.
What is the InChIKey of (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea?
The InChIKey is PRAMCRKMBOQSAJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C12H12N4O/c1-13-12(17)15-10-7-8-16(14-9-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,17)/b15-10-.
What are the key properties of (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea?
(3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea has a molecular weight of 228.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(1-phenylpyridazin-4-ylidene)urea is sourced from PubChem (CID 13206652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).