CID 162466110

C8H14AuN5 — CID 162466110

IUPAC—
SMILESCN1CCN(Cc2[c-]nn[nH]2)CC1.[Au+]
InChIInChI=1S/C8H14N5.Au/c1-12-2-4-13(5-3-12)7-8-6-9-11-10-8;/h2-5,7H2,1H3,(H,9,10,11);/q-1;+1
InChIKeyVHQOLVJRZXCGAH-UHFFFAOYSA-N
MW377.20 g/mol
LogP-0.65
Rot. Bonds2

About CID 162466110

CID 162466110 (PubChem CID 162466110) has the molecular formula C8H14AuN5 and a molecular weight of 377.20 g/mol.

Molecular Properties

Compound NameCID 162466110
PubChem CID162466110
Molecular FormulaC8H14AuN5
Molecular Weight377.20 g/mol
Exact Mass377.09
IUPAC Name—
SMILESCN1CCN(Cc2[c-]nn[nH]2)CC1.[Au+]
InChIInChI=1S/C8H14N5.Au/c1-12-2-4-13(5-3-12)7-8-6-9-11-10-8;/h2-5,7H2,1H3,(H,9,10,11);/q-1;+1
InChIKeyVHQOLVJRZXCGAH-UHFFFAOYSA-N
XLogP-0.65
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
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1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
diethyl-methyl-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]silane
CID 58332300
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
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CID 59102100
CID 59102100
1-[(1,2-dimethylimidazol-4-yl)methyl]-4-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of CID 162466110?
The IUPAC name of CID 162466110 (CID 162466110) is not available.
What is the SMILES notation for CID 162466110?
The canonical SMILES for CID 162466110 is CN1CCN(Cc2[c-]nn[nH]2)CC1.[Au+].
What is the InChIKey of CID 162466110?
The InChIKey is VHQOLVJRZXCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N5.Au/c1-12-2-4-13(5-3-12)7-8-6-9-11-10-8;/h2-5,7H2,1H3,(H,9,10,11);/q-1;+1.
What are the key properties of CID 162466110?
CID 162466110 has a molecular weight of 377.20 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162466110 is sourced from PubChem (CID 162466110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).