1-(1-phenylpyridazin-4-ylidene)-3-propylurea

C14H16N4O — CID 54236103

IUPAC1-(1-phenylpyridazin-4-ylidene)-3-propylurea
SMILESCCCNC(=O)N=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C14H16N4O/c1-2-9-15-14(19)17-12-8-10-18(16-11-12)13-6-4-3-5-7-13/h3-8,10-11H,2,9H2,1H3,(H,15,19)
InChIKeyQMRFHMYBGQWMQT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds3

About 1-(1-phenylpyridazin-4-ylidene)-3-propylurea

1-(1-phenylpyridazin-4-ylidene)-3-propylurea (PubChem CID 54236103) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(1-phenylpyridazin-4-ylidene)-3-propylurea.

Molecular Properties

Compound Name1-(1-phenylpyridazin-4-ylidene)-3-propylurea
PubChem CID54236103
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(1-phenylpyridazin-4-ylidene)-3-propylurea
SMILESCCCNC(=O)N=c1ccn(-c2ccccc2)nc1
InChIInChI=1S/C14H16N4O/c1-2-9-15-14(19)17-12-8-10-18(16-11-12)13-6-4-3-5-7-13/h3-8,10-11H,2,9H2,1H3,(H,15,19)
InChIKeyQMRFHMYBGQWMQT-UHFFFAOYSA-N
XLogP1.89
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206639
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyridazin-4-ylidene)-3-propylurea?
The IUPAC name of 1-(1-phenylpyridazin-4-ylidene)-3-propylurea (CID 54236103) is 1-(1-phenylpyridazin-4-ylidene)-3-propylurea.
What is the SMILES notation for 1-(1-phenylpyridazin-4-ylidene)-3-propylurea?
The canonical SMILES for 1-(1-phenylpyridazin-4-ylidene)-3-propylurea is CCCNC(=O)N=c1ccn(-c2ccccc2)nc1.
What is the InChIKey of 1-(1-phenylpyridazin-4-ylidene)-3-propylurea?
The InChIKey is QMRFHMYBGQWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-9-15-14(19)17-12-8-10-18(16-11-12)13-6-4-3-5-7-13/h3-8,10-11H,2,9H2,1H3,(H,15,19).
What are the key properties of 1-(1-phenylpyridazin-4-ylidene)-3-propylurea?
1-(1-phenylpyridazin-4-ylidene)-3-propylurea has a molecular weight of 256.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyridazin-4-ylidene)-3-propylurea is sourced from PubChem (CID 54236103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).