1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea

C13H21N5O — CID 113038888

IUPAC1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C13H21N5O/c1-9(2)14-13(19)16-12-8-7-11(17-18-12)15-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCWIDTJXFQPRNLW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea

1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea (PubChem CID 113038888) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
PubChem CID113038888
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C13H21N5O/c1-9(2)14-13(19)16-12-8-7-11(17-18-12)15-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCWIDTJXFQPRNLW-UHFFFAOYSA-N
XLogP2.36
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038820
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide
CID 113044367
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
6-(cyclopentylamino)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109112098
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea (CID 113038888) is 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(NC2CCCC2)nn1.
What is the InChIKey of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea?
The InChIKey is CWIDTJXFQPRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)14-13(19)16-12-8-7-11(17-18-12)15-10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of 1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea?
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea has a molecular weight of 263.34 g/mol, XLogP of 2.36, 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-propan-2-ylurea is sourced from PubChem (CID 113038888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).