1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea

C16H19N5O — CID 113038878

IUPAC1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H19N5O/c22-16(18-13-6-2-1-3-7-13)19-15-11-10-14(20-21-15)17-12-8-4-5-9-12/h1-3,6-7,10-12H,4-5,8-9H2,(H,17,20)(H2,18,19,21,22)
InChIKeyRNBCKKFRVCWOBF-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.48
Rot. Bonds4

About 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea

1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea (PubChem CID 113038878) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
PubChem CID113038878
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H19N5O/c22-16(18-13-6-2-1-3-7-13)19-15-11-10-14(20-21-15)17-12-8-4-5-9-12/h1-3,6-7,10-12H,4-5,8-9H2,(H,17,20)(H2,18,19,21,22)
InChIKeyRNBCKKFRVCWOBF-UHFFFAOYSA-N
XLogP3.48
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038820
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea?
The IUPAC name of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea (CID 113038878) is 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(NC2CCCC2)nn1.
What is the InChIKey of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea?
The InChIKey is RNBCKKFRVCWOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(18-13-6-2-1-3-7-13)19-15-11-10-14(20-21-15)17-12-8-4-5-9-12/h1-3,6-7,10-12H,4-5,8-9H2,(H,17,20)(H2,18,19,21,22).
What are the key properties of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea?
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea has a molecular weight of 297.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea is sourced from PubChem (CID 113038878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).