CID 87167805

C13H19AsF3N4 — CID 87167805

IUPAC—
SMILESC[As]C1CCN(c2cnnc(NCCCC(F)(F)F)c2)C1
InChIInChI=1S/C13H19AsF3N4/c1-14-10-3-6-21(9-10)11-7-12(20-19-8-11)18-5-2-4-13(15,16)17/h7-8,10H,2-6,9H2,1H3,(H,18,20)
InChIKeyMPBZNLNBEPERHO-UHFFFAOYSA-N
MW363.24 g/mol
LogP2.98
Rot. Bonds6

About CID 87167805

CID 87167805 (PubChem CID 87167805) has the molecular formula C13H19AsF3N4 and a molecular weight of 363.24 g/mol.

Molecular Properties

Compound NameCID 87167805
PubChem CID87167805
Molecular FormulaC13H19AsF3N4
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name—
SMILESC[As]C1CCN(c2cnnc(NCCCC(F)(F)F)c2)C1
InChIInChI=1S/C13H19AsF3N4/c1-14-10-3-6-21(9-10)11-7-12(20-19-8-11)18-5-2-4-13(15,16)17/h7-8,10H,2-6,9H2,1H3,(H,18,20)
InChIKeyMPBZNLNBEPERHO-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3R)-3-aminopyrrolidin-1-yl]-N-butylpyridazin-3-amine
CID 58227228
CID 87167842
CID 87167842
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine
CID 76709105
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
5-(3-aminopyrrolidin-1-yl)-N-(cyclopentylmethyl)pyridazin-3-amine
CID 76709112
5-(3-aminopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 76709057
2,2-dimethyl-3-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]propan-1-ol
CID 70943149
5-(3-aminopyrrolidin-1-yl)-N-cyclopentylpyridazin-3-amine
CID 76709020
N-(cyclopentylmethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-amine
CID 58227329
5-[(3R)-3-aminopyrrolidin-1-yl]-N-[2-methyl-3-(3-methylcyclopentyl)propyl]pyridazin-3-amine
CID 130321688
5-(3-aminoazetidin-1-yl)-N-(2-methylpropyl)pyridazin-3-amine
CID 58227336
N-(1-adamantyl)-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridazin-3-amine
CID 58227198

Frequently Asked Questions

What is the IUPAC name of CID 87167805?
The IUPAC name of CID 87167805 (CID 87167805) is not available.
What is the SMILES notation for CID 87167805?
The canonical SMILES for CID 87167805 is C[As]C1CCN(c2cnnc(NCCCC(F)(F)F)c2)C1.
What is the InChIKey of CID 87167805?
The InChIKey is MPBZNLNBEPERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19AsF3N4/c1-14-10-3-6-21(9-10)11-7-12(20-19-8-11)18-5-2-4-13(15,16)17/h7-8,10H,2-6,9H2,1H3,(H,18,20).
What are the key properties of CID 87167805?
CID 87167805 has a molecular weight of 363.24 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167805 is sourced from PubChem (CID 87167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).