chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole

C12H14ClN3Zn — CID 58162866

IUPACchlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2[c-]cccc2)n(C)n1.Cl[Zn+]
InChIInChI=1S/C12H14N3.ClH.Zn/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;;/h4-6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNXMQLPBNQNAZFT-UHFFFAOYSA-M
MW301.11 g/mol
LogP2.92
Rot. Bonds3

About chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole

chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole (PubChem CID 58162866) has the molecular formula C12H14ClN3Zn and a molecular weight of 301.11 g/mol. Its IUPAC name is chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole.

Molecular Properties

Compound Namechlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
PubChem CID58162866
Molecular FormulaC12H14ClN3Zn
Molecular Weight301.11 g/mol
Exact Mass299.02
IUPAC Namechlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2[c-]cccc2)n(C)n1.Cl[Zn+]
InChIInChI=1S/C12H14N3.ClH.Zn/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;;/h4-6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyNXMQLPBNQNAZFT-UHFFFAOYSA-M
XLogP2.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
5-(2,2-Dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;iridium
CID 58162148
Iridium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162909
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
Magnesium;5-(2,2-dimethylpropyl)-1-methyl-3-(3-methylbenzene-6-id-1-yl)-1,2,4-triazole;chloride
CID 58163012
iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517956
2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517961
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
1,3-Dimethyl-5-phenyl-1,2,4-triazole;iridium
CID 59661674
5-Cyclohexa-1,5-dien-1-yl-1-propan-2-yl-1,2,4-triazole
CID 66886607
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987
Lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 70917337

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The IUPAC name of chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole (CID 58162866) is chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole.
What is the SMILES notation for chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The canonical SMILES for chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole is CCCc1nc(-c2[c-]cccc2)n(C)n1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The InChIKey is NXMQLPBNQNAZFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N3.ClH.Zn/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;;/h4-6,8H,3,7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole has a molecular weight of 301.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole is sourced from PubChem (CID 58162866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).