[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea

C12H16ClN5O2 — CID 61053733

IUPAC[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H16ClN5O2/c13-10-4-3-9(16-17-10)11(19)18-5-1-2-8(7-18)6-15-12(14)20/h3-4,8H,1-2,5-7H2,(H3,14,15,20)
InChIKeyKLPSLBVIXURTLW-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.65
Rot. Bonds3

About [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea

[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea (PubChem CID 61053733) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
PubChem CID61053733
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea
SMILESNC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C12H16ClN5O2/c13-10-4-3-9(16-17-10)11(19)18-5-1-2-8(7-18)6-15-12(14)20/h3-4,8H,1-2,5-7H2,(H3,14,15,20)
InChIKeyKLPSLBVIXURTLW-UHFFFAOYSA-N
XLogP0.65
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-dichloropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 106993329
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]acetamide
CID 61051093
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
(6-chloropyridazin-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55152774
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea (CID 61053733) is [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea is NC(=O)NCC1CCCN(C(=O)c2ccc(Cl)nn2)C1.
What is the InChIKey of [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea?
The InChIKey is KLPSLBVIXURTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c13-10-4-3-9(16-17-10)11(19)18-5-1-2-8(7-18)6-15-12(14)20/h3-4,8H,1-2,5-7H2,(H3,14,15,20).
What are the key properties of [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea?
[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea has a molecular weight of 297.75 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 61053733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).