CID 59303878

C11H12ClN3O — CID 59303878

IUPAC—
SMILES[CH]C(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H12ClN3O/c1-8(16)9-4-6-15(7-5-9)11-3-2-10(12)13-14-11/h1-3,9H,4-7H2
InChIKeyYHYILYXHLFBNJX-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.63
Rot. Bonds2

About CID 59303878

CID 59303878 (PubChem CID 59303878) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol.

Molecular Properties

Compound NameCID 59303878
PubChem CID59303878
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name—
SMILES[CH]C(=O)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H12ClN3O/c1-8(16)9-4-6-15(7-5-9)11-3-2-10(12)13-14-11/h1-3,9H,4-7H2
InChIKeyYHYILYXHLFBNJX-UHFFFAOYSA-N
XLogP1.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(6-chloropyridazin-3-yl)azepan-4-ol
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[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 56763260
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
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CID 117087106
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
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[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
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1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of CID 59303878?
The IUPAC name of CID 59303878 (CID 59303878) is not available.
What is the SMILES notation for CID 59303878?
The canonical SMILES for CID 59303878 is [CH]C(=O)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of CID 59303878?
The InChIKey is YHYILYXHLFBNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8(16)9-4-6-15(7-5-9)11-3-2-10(12)13-14-11/h1-3,9H,4-7H2.
What are the key properties of CID 59303878?
CID 59303878 has a molecular weight of 237.69 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303878 is sourced from PubChem (CID 59303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).