lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole

C12H14LrN3- — CID 70917337

IUPAClawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2[c-]cccc2)n(C)n1.[Lr]
InChIInChI=1S/C12H14N3.Lr/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8H,3,7H2,1-2H3;/q-1;
InChIKeyFLVDSPAVVMVBSH-UHFFFAOYSA-N
MW462.27 g/mol
LogP2.23
Rot. Bonds3

About lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole

lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole (PubChem CID 70917337) has the molecular formula C12H14LrN3- and a molecular weight of 462.27 g/mol. Its IUPAC name is lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole.

Molecular Properties

Compound Namelawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
PubChem CID70917337
Molecular FormulaC12H14LrN3-
Molecular Weight462.27 g/mol
Exact Mass462.23
IUPAC Namelawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2[c-]cccc2)n(C)n1.[Lr]
InChIInChI=1S/C12H14N3.Lr/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8H,3,7H2,1-2H3;/q-1;
InChIKeyFLVDSPAVVMVBSH-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The IUPAC name of lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole (CID 70917337) is lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole.
What is the SMILES notation for lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The canonical SMILES for lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole is CCCc1nc(-c2[c-]cccc2)n(C)n1.[Lr].
What is the InChIKey of lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
The InChIKey is FLVDSPAVVMVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.Lr/c1-3-7-11-13-12(15(2)14-11)10-8-5-4-6-9-10;/h4-6,8H,3,7H2,1-2H3;/q-1;.
What are the key properties of lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole?
lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole has a molecular weight of 462.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;1-methyl-5-phenyl-3-propyl-1,2,4-triazole is sourced from PubChem (CID 70917337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).