1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea

C19H29N5O — CID 113039355

IUPAC1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)nn1)NC1CCCCC1
InChIInChI=1S/C19H29N5O/c25-19(21-16-9-5-2-6-10-16)22-18-12-11-17(23-24-18)20-14-13-15-7-3-1-4-8-15/h7,11-12,16H,1-6,8-10,13-14H2,(H,20,23)(H2,21,22,24,25)
InChIKeyNZIGCQBUVMOHGK-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.23
Rot. Bonds6

About 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea

1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea (PubChem CID 113039355) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
PubChem CID113039355
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(NCCC2=CCCCC2)nn1)NC1CCCCC1
InChIInChI=1S/C19H29N5O/c25-19(21-16-9-5-2-6-10-16)22-18-12-11-17(23-24-18)20-14-13-15-7-3-1-4-8-15/h7,11-12,16H,1-6,8-10,13-14H2,(H,20,23)(H2,21,22,24,25)
InChIKeyNZIGCQBUVMOHGK-UHFFFAOYSA-N
XLogP4.23
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113039305
6-[2-(cyclohepten-1-yl)ethylamino]pyridazine-3-carboxamide
CID 133477090
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275561
N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364455
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113039338
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
CID 113039315
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113039330
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039326
1-cyclopropyl-3-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]urea
CID 113042810
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea (CID 113039355) is 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea is O=C(Nc1ccc(NCCC2=CCCCC2)nn1)NC1CCCCC1.
What is the InChIKey of 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea?
The InChIKey is NZIGCQBUVMOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(21-16-9-5-2-6-10-16)22-18-12-11-17(23-24-18)20-14-13-15-7-3-1-4-8-15/h7,11-12,16H,1-6,8-10,13-14H2,(H,20,23)(H2,21,22,24,25).
What are the key properties of 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea?
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea has a molecular weight of 343.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 113039355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).