lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

C8H7LrN3 — CID 144708005

IUPAClawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESCc1nnc2n1C=C=CC=C2.[Lr]
InChIInChI=1S/C8H7N3.Lr/c1-7-9-10-8-5-3-2-4-6-11(7)8;/h2-3,5-6H,1H3;
InChIKeyMZCFVKMOUCJNCW-UHFFFAOYSA-N
MW407.17 g/mol
LogP1.24
Rot. Bonds

About lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (PubChem CID 144708005) has the molecular formula C8H7LrN3 and a molecular weight of 407.17 g/mol. Its IUPAC name is lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.

Molecular Properties

Compound Namelawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
PubChem CID144708005
Molecular FormulaC8H7LrN3
Molecular Weight407.17 g/mol
Exact Mass407.17
IUPAC Namelawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESCc1nnc2n1C=C=CC=C2.[Lr]
InChIInChI=1S/C8H7N3.Lr/c1-7-9-10-8-5-3-2-4-6-11(7)8;/h2-3,5-6H,1H3;
InChIKeyMZCFVKMOUCJNCW-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
carbanide;3-methyl-8H-[1,2,4]triazolo[4,3-a]pyridin-8-ide;tungsten(2+);yttrium
CID 91867234
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 118674639
9-Methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
CID 126658836
3,4-bis[(Z)-prop-1-enyl]-1,2,4-triazole
CID 132156357
3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,4-triazole
CID 132185214
5H-[1,2,4]triazolo[4,3-a]azepine
CID 142784675
3-[(1Z)-buta-1,3-dienyl]-4-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 142875293
Ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
CID 142933409
1,8,10-Triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
CID 142933410
4-[(1Z)-buta-1,3-dienyl]-3,5-dimethyl-1,2,4-triazole
CID 143048748

Frequently Asked Questions

What is the IUPAC name of lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The IUPAC name of lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (CID 144708005) is lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.
What is the SMILES notation for lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The canonical SMILES for lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is Cc1nnc2n1C=C=CC=C2.[Lr].
What is the InChIKey of lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The InChIKey is MZCFVKMOUCJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.Lr/c1-7-9-10-8-5-3-2-4-6-11(7)8;/h2-3,5-6H,1H3;.
What are the key properties of lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene has a molecular weight of 407.17 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;10-methyl-1,8,9-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is sourced from PubChem (CID 144708005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).